(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid

C209H215Cl2F12N23O55 — CID 157489440

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid
SMILESC=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.CC(C)C(=O)OCOC(=O)Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@H](C)c3ccc4c(c3)OC(C)(F)O4)[C@@H]2C(=O)O)ccn1.CCOC(=O)[C@@H]1[C@@H](Cc2ccc(Cl)nc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2cccnc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)CC(C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccc(Cl)nc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccnc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C29H31FN2O10.C24H24ClFN2O6.C24H26FN3O6.2C24H25FN2O6.C22H20ClFN2O6.C22H21FN2O6.C20H25F3N4O3.C20H18F2N4O6/c1-15(2)28(38)40-14-39-24(34)13-19-10-17(7-8-31-19)11-20-25(27(36)37)32(26(20)35)23(33)9-16(3)18-5-6-21-22(12-18)42-29(4,30)41-21;1-4-32-23(31)21-16(10-14-5-8-19(25)27-12-14)22(30)28(21)20(29)9-13(2)15-6-7-17-18(11-15)34-24(3,26)33-17;1-4-32-23(31)21-16(10-14-7-8-27-19(26)11-14)22(30)28(21)20(29)9-13(2)15-5-6-17-18(12-15)34-24(3,25)33-17;1-4-31-23(30)21-17(12-15-7-9-26-10-8-15)22(29)27(21)20(28)11-14(2)16-5-6-18-19(13-16)33-24(3,25)32-18;1-4-31-23(30)21-17(11-15-6-5-9-26-13-15)22(29)27(21)20(28)10-14(2)16-7-8-18-19(12-16)33-24(3,25)32-18;1-11(13-4-5-15-16(9-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-3-6-17(23)25-10-12;1-12(14-5-6-16-17(10-14)31-22(2,23)30-16)8-18(26)25-19(21(28)29)15(20(25)27)9-13-4-3-7-24-11-13;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13;1-9(11-2-3-13-14(8-11)32-20(21,22)31-13)25-19(30)26-16(18(28)29)12(17(26)27)6-10-4-5-24-15(23)7-10/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,36,37);5-8,11-13,16,21H,4,9-10H2,1-3H3;5-8,11-13,16,21H,4,9-10H2,1-3H3,(H2,26,27);5-10,13-14,17,21H,4,11-12H2,1-3H3;5-9,12-14,17,21H,4,10-11H2,1-3H3;3-6,9-11,14,19H,7-8H2,1-2H3,(H,29,30);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);7-8,10,13-14,16-17H,1-6,9H2,(H2,24,25)(H,26,30)(H,28,29);2-5,7-9,12,16H,6H2,1H3,(H2,23,24)(H,25,30)(H,28,29)/t16-,20+,25-,29?;13-,16+,21-,24?;13?,16-,21+,24?;2*14-,17+,21-,24?;11-,14+,19-,22?;12-,15+,19-,22?;14-,16-,17-;9-,12+,16-/m001000000/s1
InChIKeyBXCFHMABBUCLJR-CPVTZKJDSA-N
MW4228.01 g/mol
LogP26.97
Rot. Bonds61

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid (PubChem CID 157489440) has the molecular formula C209H215Cl2F12N23O55 and a molecular weight of 4228.01 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid
PubChem CID157489440
Molecular FormulaC209H215Cl2F12N23O55
Molecular Weight4228.01 g/mol
Exact Mass4224.39
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid
SMILESC=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.CC(C)C(=O)OCOC(=O)Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@H](C)c3ccc4c(c3)OC(C)(F)O4)[C@@H]2C(=O)O)ccn1.CCOC(=O)[C@@H]1[C@@H](Cc2ccc(Cl)nc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2cccnc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)CC(C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccc(Cl)nc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccnc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C29H31FN2O10.C24H24ClFN2O6.C24H26FN3O6.2C24H25FN2O6.C22H20ClFN2O6.C22H21FN2O6.C20H25F3N4O3.C20H18F2N4O6/c1-15(2)28(38)40-14-39-24(34)13-19-10-17(7-8-31-19)11-20-25(27(36)37)32(26(20)35)23(33)9-16(3)18-5-6-21-22(12-18)42-29(4,30)41-21;1-4-32-23(31)21-16(10-14-5-8-19(25)27-12-14)22(30)28(21)20(29)9-13(2)15-6-7-17-18(11-15)34-24(3,26)33-17;1-4-32-23(31)21-16(10-14-7-8-27-19(26)11-14)22(30)28(21)20(29)9-13(2)15-5-6-17-18(12-15)34-24(3,25)33-17;1-4-31-23(30)21-17(12-15-7-9-26-10-8-15)22(29)27(21)20(28)11-14(2)16-5-6-18-19(13-16)33-24(3,25)32-18;1-4-31-23(30)21-17(11-15-6-5-9-26-13-15)22(29)27(21)20(28)10-14(2)16-7-8-18-19(12-16)33-24(3,25)32-18;1-11(13-4-5-15-16(9-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-3-6-17(23)25-10-12;1-12(14-5-6-16-17(10-14)31-22(2,23)30-16)8-18(26)25-19(21(28)29)15(20(25)27)9-13-4-3-7-24-11-13;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13;1-9(11-2-3-13-14(8-11)32-20(21,22)31-13)25-19(30)26-16(18(28)29)12(17(26)27)6-10-4-5-24-15(23)7-10/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,36,37);5-8,11-13,16,21H,4,9-10H2,1-3H3;5-8,11-13,16,21H,4,9-10H2,1-3H3,(H2,26,27);5-10,13-14,17,21H,4,11-12H2,1-3H3;5-9,12-14,17,21H,4,10-11H2,1-3H3;3-6,9-11,14,19H,7-8H2,1-2H3,(H,29,30);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);7-8,10,13-14,16-17H,1-6,9H2,(H2,24,25)(H,26,30)(H,28,29);2-5,7-9,12,16H,6H2,1H3,(H2,23,24)(H,25,30)(H,28,29)/t16-,20+,25-,29?;13-,16+,21-,24?;13?,16-,21+,24?;2*14-,17+,21-,24?;11-,14+,19-,22?;12-,15+,19-,22?;14-,16-,17-;9-,12+,16-/m001000000/s1
InChIKeyBXCFHMABBUCLJR-CPVTZKJDSA-N
XLogP26.97
TPSA1029.46 Ų
H-Bond Donors10
H-Bond Acceptors62
Rotatable Bonds61
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004228.01
LogP ≤ 526.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1062

Analyze (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid (CID 157489440) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid is C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.CC(C)C(=O)OCOC(=O)Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@H](C)c3ccc4c(c3)OC(C)(F)O4)[C@@H]2C(=O)O)ccn1.CCOC(=O)[C@@H]1[C@@H](Cc2ccc(Cl)nc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2cccnc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)CC(C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccc(Cl)nc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccnc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid?
The InChIKey is BXCFHMABBUCLJR-CPVTZKJDSA-N. The full InChI is InChI=1S/C29H31FN2O10.C24H24ClFN2O6.C24H26FN3O6.2C24H25FN2O6.C22H20ClFN2O6.C22H21FN2O6.C20H25F3N4O3.C20H18F2N4O6/c1-15(2)28(38)40-14-39-24(34)13-19-10-17(7-8-31-19)11-20-25(27(36)37)32(26(20)35)23(33)9-16(3)18-5-6-21-22(12-18)42-29(4,30)41-21;1-4-32-23(31)21-16(10-14-5-8-19(25)27-12-14)22(30)28(21)20(29)9-13(2)15-6-7-17-18(11-15)34-24(3,26)33-17;1-4-32-23(31)21-16(10-14-7-8-27-19(26)11-14)22(30)28(21)20(29)9-13(2)15-5-6-17-18(12-15)34-24(3,25)33-17;1-4-31-23(30)21-17(12-15-7-9-26-10-8-15)22(29)27(21)20(28)11-14(2)16-5-6-18-19(13-16)33-24(3,25)32-18;1-4-31-23(30)21-17(11-15-6-5-9-26-13-15)22(29)27(21)20(28)10-14(2)16-7-8-18-19(12-16)33-24(3,25)32-18;1-11(13-4-5-15-16(9-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-3-6-17(23)25-10-12;1-12(14-5-6-16-17(10-14)31-22(2,23)30-16)8-18(26)25-19(21(28)29)15(20(25)27)9-13-4-3-7-24-11-13;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13;1-9(11-2-3-13-14(8-11)32-20(21,22)31-13)25-19(30)26-16(18(28)29)12(17(26)27)6-10-4-5-24-15(23)7-10/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,36,37);5-8,11-13,16,21H,4,9-10H2,1-3H3;5-8,11-13,16,21H,4,9-10H2,1-3H3,(H2,26,27);5-10,13-14,17,21H,4,11-12H2,1-3H3;5-9,12-14,17,21H,4,10-11H2,1-3H3;3-6,9-11,14,19H,7-8H2,1-2H3,(H,29,30);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);7-8,10,13-14,16-17H,1-6,9H2,(H2,24,25)(H,26,30)(H,28,29);2-5,7-9,12,16H,6H2,1H3,(H2,23,24)(H,25,30)(H,28,29)/t16-,20+,25-,29?;13-,16+,21-,24?;13?,16-,21+,24?;2*14-,17+,21-,24?;11-,14+,19-,22?;12-,15+,19-,22?;14-,16-,17-;9-,12+,16-/m001000000/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid has a molecular weight of 4228.01 g/mol, XLogP of 26.97, 61 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 157489440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).