2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid

C261H430N10O92 — CID 162022931

IUPAC2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)N(C)CCNC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)NCCOC(=O)C1=C(C(=O)O)CCCC1.CCC(C)(C)C(=O)OC(C(=O)O)C1CCCCC1.CCC(C)(C)C(=O)OCC(O)CCC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O.CCC(C)(C)C(=O)OCC(O)CNC(CC1CCCCC1)C(=O)O.CCC(C)(C)C(=O)OCC(O)CNC1(C(=O)O)CC2CCC1C2.CCC(C)(C)C(=O)OCC(O)CNC1CCC(C(=O)O)CC1.CCC(C)(C)C(=O)OCC(O)COC(=O)C1CC(C(=O)O)CC(C(=O)O)C1.CCC(C)(C)C(=O)OCC(O)N1CCCC1C(=O)O.CCC(C)(C)C(=O)OCCN(C)C(=O)C1CC=CCC1C(=O)O.CCC(C)(C)C(=O)OCCNC(=O)C(C(=O)O)C1CCCCC1.CCC(C)(C)C(=O)OCCNC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(C2)C1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1C2CCC(O2)C1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C18H33NO5.C18H26O10.C18H28O9.C17H30N2O4.C17H29NO5.C17H27NO5.C17H29NO5.C17H24O6.C17H28O6.C16H29NO5.C16H25NO5.C16H27NO5.C16H24O7.C14H24O6.C14H24O4.C13H23NO5/c1-4-18(2,3)17(23)24-12-14(20)11-19-15(16(21)22)10-13-8-6-5-7-9-13;1-4-18(2,3)17(27)28-7-8(19)5-6-9(20)10-11(14(21)22)13(16(25)26)12(10)15(23)24;1-4-18(2,3)17(25)27-9-13(19)8-26-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23;1-5-17(2,3)16(23)19(4)11-10-18-14(20)12-8-6-7-9-13(12)15(21)22;1-4-16(2,3)15(22)23-10-13(19)9-18-17(14(20)21)8-11-5-6-12(17)7-11;1-5-17(2,3)16(22)23-11-10-18(4)14(19)12-8-6-7-9-13(12)15(20)21;1-4-17(2,3)16(22)23-11-10-18-14(19)13(15(20)21)12-8-6-5-7-9-12;1-4-17(2,3)16(21)23-8-7-22-15(20)13-11-6-5-10(9-11)12(13)14(18)19;1-4-16(2,3)15(21)23-10-9-22-14(20)12-17(11-13(18)19)7-5-6-8-17;1-4-16(2,3)15(21)22-10-13(18)9-17-12-7-5-11(6-8-12)14(19)20;1-4-16(2,3)15(21)17-9-10-22-14(20)12-8-6-5-7-11(12)13(18)19;1-4-16(2,3)15(21)22-10-9-17-13(18)11-7-5-6-8-12(11)14(19)20;1-4-16(2,3)15(20)22-8-7-21-14(19)12-10-6-5-9(23-10)11(12)13(17)18;1-6-13(2,3)12(18)20-8-7-19-10(15)9-14(4,5)11(16)17;1-4-14(2,3)13(17)18-11(12(15)16)10-8-6-5-7-9-10;1-4-13(2,3)12(18)19-8-10(15)14-7-5-6-9(14)11(16)17/h13-15,19-20H,4-12H2,1-3H3,(H,21,22);8,10-13,19H,4-7H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);10-13,19H,4-9H2,1-3H3,(H,20,21)(H,22,23);12-13H,5-11H2,1-4H3,(H,18,20)(H,21,22);11-13,18-19H,4-10H2,1-3H3,(H,20,21);6-7,12-13H,5,8-11H2,1-4H3,(H,20,21);12-13H,4-11H2,1-3H3,(H,18,19)(H,20,21);5-6,10-13H,4,7-9H2,1-3H3,(H,18,19);4-12H2,1-3H3,(H,18,19);11-13,17-18H,4-10H2,1-3H3,(H,19,20);4-10H2,1-3H3,(H,17,21)(H,18,19);11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20);9-12H,4-8H2,1-3H3,(H,17,18);6-9H2,1-5H3,(H,16,17);10-11H,4-9H2,1-3H3,(H,15,16);9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyYUZGKGYGVWJJCP-UHFFFAOYSA-N
MW5180.29 g/mol
LogP29.49
Rot. Bonds124

About 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid

2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 162022931) has the molecular formula C261H430N10O92 and a molecular weight of 5180.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid
PubChem CID162022931
Molecular FormulaC261H430N10O92
Molecular Weight5180.29 g/mol
Exact Mass5176.93
IUPAC Name2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)N(C)CCNC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)NCCOC(=O)C1=C(C(=O)O)CCCC1.CCC(C)(C)C(=O)OC(C(=O)O)C1CCCCC1.CCC(C)(C)C(=O)OCC(O)CCC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O.CCC(C)(C)C(=O)OCC(O)CNC(CC1CCCCC1)C(=O)O.CCC(C)(C)C(=O)OCC(O)CNC1(C(=O)O)CC2CCC1C2.CCC(C)(C)C(=O)OCC(O)CNC1CCC(C(=O)O)CC1.CCC(C)(C)C(=O)OCC(O)COC(=O)C1CC(C(=O)O)CC(C(=O)O)C1.CCC(C)(C)C(=O)OCC(O)N1CCCC1C(=O)O.CCC(C)(C)C(=O)OCCN(C)C(=O)C1CC=CCC1C(=O)O.CCC(C)(C)C(=O)OCCNC(=O)C(C(=O)O)C1CCCCC1.CCC(C)(C)C(=O)OCCNC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(C2)C1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1C2CCC(O2)C1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C18H33NO5.C18H26O10.C18H28O9.C17H30N2O4.C17H29NO5.C17H27NO5.C17H29NO5.C17H24O6.C17H28O6.C16H29NO5.C16H25NO5.C16H27NO5.C16H24O7.C14H24O6.C14H24O4.C13H23NO5/c1-4-18(2,3)17(23)24-12-14(20)11-19-15(16(21)22)10-13-8-6-5-7-9-13;1-4-18(2,3)17(27)28-7-8(19)5-6-9(20)10-11(14(21)22)13(16(25)26)12(10)15(23)24;1-4-18(2,3)17(25)27-9-13(19)8-26-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23;1-5-17(2,3)16(23)19(4)11-10-18-14(20)12-8-6-7-9-13(12)15(21)22;1-4-16(2,3)15(22)23-10-13(19)9-18-17(14(20)21)8-11-5-6-12(17)7-11;1-5-17(2,3)16(22)23-11-10-18(4)14(19)12-8-6-7-9-13(12)15(20)21;1-4-17(2,3)16(22)23-11-10-18-14(19)13(15(20)21)12-8-6-5-7-9-12;1-4-17(2,3)16(21)23-8-7-22-15(20)13-11-6-5-10(9-11)12(13)14(18)19;1-4-16(2,3)15(21)23-10-9-22-14(20)12-17(11-13(18)19)7-5-6-8-17;1-4-16(2,3)15(21)22-10-13(18)9-17-12-7-5-11(6-8-12)14(19)20;1-4-16(2,3)15(21)17-9-10-22-14(20)12-8-6-5-7-11(12)13(18)19;1-4-16(2,3)15(21)22-10-9-17-13(18)11-7-5-6-8-12(11)14(19)20;1-4-16(2,3)15(20)22-8-7-21-14(19)12-10-6-5-9(23-10)11(12)13(17)18;1-6-13(2,3)12(18)20-8-7-19-10(15)9-14(4,5)11(16)17;1-4-14(2,3)13(17)18-11(12(15)16)10-8-6-5-7-9-10;1-4-13(2,3)12(18)19-8-10(15)14-7-5-6-9(14)11(16)17/h13-15,19-20H,4-12H2,1-3H3,(H,21,22);8,10-13,19H,4-7H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);10-13,19H,4-9H2,1-3H3,(H,20,21)(H,22,23);12-13H,5-11H2,1-4H3,(H,18,20)(H,21,22);11-13,18-19H,4-10H2,1-3H3,(H,20,21);6-7,12-13H,5,8-11H2,1-4H3,(H,20,21);12-13H,4-11H2,1-3H3,(H,18,19)(H,20,21);5-6,10-13H,4,7-9H2,1-3H3,(H,18,19);4-12H2,1-3H3,(H,18,19);11-13,17-18H,4-10H2,1-3H3,(H,19,20);4-10H2,1-3H3,(H,17,21)(H,18,19);11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20);9-12H,4-8H2,1-3H3,(H,17,18);6-9H2,1-5H3,(H,16,17);10-11H,4-9H2,1-3H3,(H,15,16);9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyYUZGKGYGVWJJCP-UHFFFAOYSA-N
XLogP29.49
TPSA1578.73 Ų
H-Bond Donors32
H-Bond Acceptors77
Rotatable Bonds124
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005180.29
LogP ≤ 529.49
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1077

Analyze 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid
CID 90982181
3-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]-5-methoxybenzoic acid;2-[5-[5-(2,2-dimethylbutanoylamino)pentylamino]-5-oxopentoxy]carbonylcyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3-oxopropoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid;2-[5-(2,2-dimethylbutanoyloxy)pentoxycarbonyl]cyclohexane-1-carboxylic acid
CID 159058296
3-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 91600371
2-[2-(2,2-dimethylbutanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethyl-methylcarbamoyl]cyclohexane-1-carboxylic acid;2-[5-[5-(2,2-dimethylbutanoylamino)pentylamino]-5-oxopentoxy]carbonylcyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]adamantane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91115481
bis(3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid);3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid;bis(2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid);3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3-oxopropoxy]ethyl 2-formyloxycyclohexane-1-carboxylate;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;2-[5-(2,2-dimethylbutanoyloxy)pentoxycarbonyl]cyclohexane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoyloxy)propoxycarbonyl]cyclohexane-1-carboxylic acid;2-[3-(2,2-dimethylbutanoyloxy)propoxycarbonyl]cyclohexane-1-carboxylic acid;2,3-dimethyl-3-[2-(2-methylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;ethane;1,4,5,6,7,7-hexachloro-3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;6-[2-(2-methylbutanoyloxy)ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;3-[2-(2-methylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 158465174
3-(carboxymethyl)-1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid;2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 90964335
4-[2-(3-carboxypropanoyloxy)-3-(2,2-dimethylbutanoyloxy)propoxy]-4-oxobutanoic acid;3-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]pyrazine-2-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid;2-[2-[2-(2,2-dimethylbutanoylamino)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[4-(2,2-dimethylbutanoyloxy)butoxy]-6-oxohexanoic acid;2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]pentanoic acid;2-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonyldodecanoic acid;4-[2-(2-methylbutanoylamino)ethoxy]-4-oxobutanoic acid;4-[2-(2-methylbutanoyloxy)ethoxy]-4-oxobutanoic acid
CID 161192564
2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20761270
3-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 91136812
3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate
CID 157074620
bis((1-cyclohexylcyclopentyl) 2,2-dimethylbutanoate);bis(2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 157402270
carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid
CID 159245132

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid (CID 162022931) is 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid is CCC(C)(C)C(=O)N(C)CCNC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)NCCOC(=O)C1=C(C(=O)O)CCCC1.CCC(C)(C)C(=O)OC(C(=O)O)C1CCCCC1.CCC(C)(C)C(=O)OCC(O)CCC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O.CCC(C)(C)C(=O)OCC(O)CNC(CC1CCCCC1)C(=O)O.CCC(C)(C)C(=O)OCC(O)CNC1(C(=O)O)CC2CCC1C2.CCC(C)(C)C(=O)OCC(O)CNC1CCC(C(=O)O)CC1.CCC(C)(C)C(=O)OCC(O)COC(=O)C1CC(C(=O)O)CC(C(=O)O)C1.CCC(C)(C)C(=O)OCC(O)N1CCCC1C(=O)O.CCC(C)(C)C(=O)OCCN(C)C(=O)C1CC=CCC1C(=O)O.CCC(C)(C)C(=O)OCCNC(=O)C(C(=O)O)C1CCCCC1.CCC(C)(C)C(=O)OCCNC(=O)C1CCCCC1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(C2)C1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)C1C2CCC(O2)C1C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YUZGKGYGVWJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO5.C18H26O10.C18H28O9.C17H30N2O4.C17H29NO5.C17H27NO5.C17H29NO5.C17H24O6.C17H28O6.C16H29NO5.C16H25NO5.C16H27NO5.C16H24O7.C14H24O6.C14H24O4.C13H23NO5/c1-4-18(2,3)17(23)24-12-14(20)11-19-15(16(21)22)10-13-8-6-5-7-9-13;1-4-18(2,3)17(27)28-7-8(19)5-6-9(20)10-11(14(21)22)13(16(25)26)12(10)15(23)24;1-4-18(2,3)17(25)27-9-13(19)8-26-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23;1-5-17(2,3)16(23)19(4)11-10-18-14(20)12-8-6-7-9-13(12)15(21)22;1-4-16(2,3)15(22)23-10-13(19)9-18-17(14(20)21)8-11-5-6-12(17)7-11;1-5-17(2,3)16(22)23-11-10-18(4)14(19)12-8-6-7-9-13(12)15(20)21;1-4-17(2,3)16(22)23-11-10-18-14(19)13(15(20)21)12-8-6-5-7-9-12;1-4-17(2,3)16(21)23-8-7-22-15(20)13-11-6-5-10(9-11)12(13)14(18)19;1-4-16(2,3)15(21)23-10-9-22-14(20)12-17(11-13(18)19)7-5-6-8-17;1-4-16(2,3)15(21)22-10-13(18)9-17-12-7-5-11(6-8-12)14(19)20;1-4-16(2,3)15(21)17-9-10-22-14(20)12-8-6-5-7-11(12)13(18)19;1-4-16(2,3)15(21)22-10-9-17-13(18)11-7-5-6-8-12(11)14(19)20;1-4-16(2,3)15(20)22-8-7-21-14(19)12-10-6-5-9(23-10)11(12)13(17)18;1-6-13(2,3)12(18)20-8-7-19-10(15)9-14(4,5)11(16)17;1-4-14(2,3)13(17)18-11(12(15)16)10-8-6-5-7-9-10;1-4-13(2,3)12(18)19-8-10(15)14-7-5-6-9(14)11(16)17/h13-15,19-20H,4-12H2,1-3H3,(H,21,22);8,10-13,19H,4-7H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);10-13,19H,4-9H2,1-3H3,(H,20,21)(H,22,23);12-13H,5-11H2,1-4H3,(H,18,20)(H,21,22);11-13,18-19H,4-10H2,1-3H3,(H,20,21);6-7,12-13H,5,8-11H2,1-4H3,(H,20,21);12-13H,4-11H2,1-3H3,(H,18,19)(H,20,21);5-6,10-13H,4,7-9H2,1-3H3,(H,18,19);4-12H2,1-3H3,(H,18,19);11-13,17-18H,4-10H2,1-3H3,(H,19,20);4-10H2,1-3H3,(H,17,21)(H,18,19);11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20);9-12H,4-8H2,1-3H3,(H,17,18);6-9H2,1-5H3,(H,16,17);10-11H,4-9H2,1-3H3,(H,15,16);9-10,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid?
2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 5180.29 g/mol, XLogP of 29.49, 124 rotatable bonds, 32 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,2-dimethylbutanoyloxy)acetic acid;2-cyclohexyl-3-[2-(2,2-dimethylbutanoyloxy)ethylamino]-3-oxopropanoic acid;3-cyclohexyl-2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]propanoic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;2-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;1-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]pyrrolidine-2-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;5-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclohexane-1,3-dicarboxylic acid;2-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162022931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).