ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)

C206H291ClN27O32Y10+7 — CID 158469414

IUPACethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)
SMILESCCOC(=O)c1cc(Cl)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CCC1.CCOC(=O)c1cc(OC)cc(C)c1NC(=O)C(C)[N+]1(CC)[CH-]CCC1.CCOC(=O)c1cc(OC)cc(C)c1NC(=O)C[N+]1(CC)[CH-]CCC1.[C-]#[N+]c1cc(C)c(NC(=O)C(C)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CCC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C2([N+]3(CC)CCCC3)CC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C2([N+]3(CC)[CH-]CCC3)CCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H29N3O3.C22H31N3O3.C21H29ClN2O3.C21H27N3O3.2C21H29N3O3.C20H27N3O3.C20H30N2O4.C19H25N3O3.C19H28N2O4.10Y/c1-5-25(12-7-8-13-25)22(10-9-11-22)21(27)24-19-16(3)14-17(23-4)15-18(19)20(26)28-6-2;1-6-11-19(25(7-2)12-9-10-13-25)21(26)24-20-16(4)14-17(23-5)15-18(20)22(27)28-8-3;1-4-24(11-6-7-12-24)21(9-8-10-21)20(26)23-18-15(3)13-16(22)14-17(18)19(25)27-5-2;1-5-24(11-7-8-12-24)21(9-10-21)20(26)23-18-15(3)13-16(22-4)14-17(18)19(25)27-6-2;2*1-6-18(24(7-2)11-9-10-12-24)20(25)23-19-15(4)13-16(22-5)14-17(19)21(26)27-8-3;1-6-23(10-8-9-11-23)15(4)19(24)22-18-14(3)12-16(21-5)13-17(18)20(25)26-7-2;1-6-22(10-8-9-11-22)15(4)19(23)21-18-14(3)12-16(25-5)13-17(18)20(24)26-7-2;1-5-22(9-7-8-10-22)13-17(23)21-18-14(3)11-15(20-4)12-16(18)19(24)25-6-2;1-5-21(9-7-8-10-21)13-17(22)20-18-14(3)11-15(24-4)12-16(18)19(23)25-6-2;;;;;;;;;;/h12,14-15H,5-11,13H2,1-3H3,(H,24,27);14-15,19H,6-13H2,1-4H3;13-14H,4-12H2,1-3H3;13-14H,5-12H2,1-3H3;2*13-14,18H,6-12H2,1-4H3;12-13,15H,6-11H2,1-4H3;10,12-13,15H,6-9,11H2,1-5H3,(H,21,23);11-12H,5-10,13H2,1-3H3;9,11-12H,5-8,10,13H2,1-4H3,(H,20,22);;;;;;;;;;/p+7
InChIKeyKKNJAJFVCNYDDM-UHFFFAOYSA-U
MW4582.26 g/mol
LogP38.27
Rot. Bonds66

About ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)

ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium) (PubChem CID 158469414) has the molecular formula C206H291ClN27O32Y10+7 and a molecular weight of 4582.26 g/mol. Its IUPAC name is ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium).

Molecular Properties

Compound Nameethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)
PubChem CID158469414
Molecular FormulaC206H291ClN27O32Y10+7
Molecular Weight4582.26 g/mol
Exact Mass4579.22
IUPAC Nameethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)
SMILESCCOC(=O)c1cc(Cl)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CCC1.CCOC(=O)c1cc(OC)cc(C)c1NC(=O)C(C)[N+]1(CC)[CH-]CCC1.CCOC(=O)c1cc(OC)cc(C)c1NC(=O)C[N+]1(CC)[CH-]CCC1.[C-]#[N+]c1cc(C)c(NC(=O)C(C)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CCC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C2([N+]3(CC)CCCC3)CC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C2([N+]3(CC)[CH-]CCC3)CCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H29N3O3.C22H31N3O3.C21H29ClN2O3.C21H27N3O3.2C21H29N3O3.C20H27N3O3.C20H30N2O4.C19H25N3O3.C19H28N2O4.10Y/c1-5-25(12-7-8-13-25)22(10-9-11-22)21(27)24-19-16(3)14-17(23-4)15-18(19)20(26)28-6-2;1-6-11-19(25(7-2)12-9-10-13-25)21(26)24-20-16(4)14-17(23-5)15-18(20)22(27)28-8-3;1-4-24(11-6-7-12-24)21(9-8-10-21)20(26)23-18-15(3)13-16(22)14-17(18)19(25)27-5-2;1-5-24(11-7-8-12-24)21(9-10-21)20(26)23-18-15(3)13-16(22-4)14-17(18)19(25)27-6-2;2*1-6-18(24(7-2)11-9-10-12-24)20(25)23-19-15(4)13-16(22-5)14-17(19)21(26)27-8-3;1-6-23(10-8-9-11-23)15(4)19(24)22-18-14(3)12-16(21-5)13-17(18)20(25)26-7-2;1-6-22(10-8-9-11-22)15(4)19(23)21-18-14(3)12-16(25-5)13-17(18)20(24)26-7-2;1-5-22(9-7-8-10-22)13-17(23)21-18-14(3)11-15(20-4)12-16(18)19(24)25-6-2;1-5-21(9-7-8-10-21)13-17(22)20-18-14(3)11-15(24-4)12-16(18)19(23)25-6-2;;;;;;;;;;/h12,14-15H,5-11,13H2,1-3H3,(H,24,27);14-15,19H,6-13H2,1-4H3;13-14H,4-12H2,1-3H3;13-14H,5-12H2,1-3H3;2*13-14,18H,6-12H2,1-4H3;12-13,15H,6-11H2,1-4H3;10,12-13,15H,6-9,11H2,1-5H3,(H,21,23);11-12H,5-10,13H2,1-3H3;9,11-12H,5-8,10,13H2,1-4H3,(H,20,22);;;;;;;;;;/p+7
InChIKeyKKNJAJFVCNYDDM-UHFFFAOYSA-U
XLogP38.27
TPSA602.98 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds66
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004582.26
LogP ≤ 538.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-chloro-2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-3-methylbenzoate;bis(methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-3-methylbenzoate);methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-3-methylbenzoate;methyl 5-chloro-2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate;methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate;methyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;nonakis(yttrium)
CID 161379528
ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)
CID 159875411
ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate
CID 158469422
methyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate
CID 159934084
ethyl 2-[[2-(1-ethylazepan-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate
CID 160989261
methyl 2-[[1-(1-ethylpiperidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate
CID 157152484
ethyl 5-chloro-2-[[2-(1-ethylazepan-1-ium-1-yl)acetyl]amino]-3-methylbenzoate
CID 160989260
1-(1-ethylazepan-1-ium-1-yl)-N-(4-isocyano-2,6-dimethylphenyl)cyclobutane-1-carboxamide;yttrium
CID 158253564
2-(1-ethylpyrrolidin-1-ium-1-yl)-N-(4-isocyano-2,6-dimethylphenyl)butanamide;yttrium
CID 161223193
ethyl 5-chloro-3-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)pentanoylamino]benzoate
CID 155693106
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-isocyano-2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 159733317
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)cyclopropane-1-carboxamide;yttrium
CID 162140347

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)?
The IUPAC name of ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium) (CID 158469414) is ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium).
What is the SMILES notation for ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)?
The canonical SMILES for ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium) is CCOC(=O)c1cc(Cl)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CCC1.CCOC(=O)c1cc(OC)cc(C)c1NC(=O)C(C)[N+]1(CC)[CH-]CCC1.CCOC(=O)c1cc(OC)cc(C)c1NC(=O)C[N+]1(CC)[CH-]CCC1.[C-]#[N+]c1cc(C)c(NC(=O)C(C)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C(CCC)[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C2([N+]3(CC)CCCC3)CC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C2([N+]3(CC)[CH-]CCC3)CCC2)c(C(=O)OCC)c1.[C-]#[N+]c1cc(C)c(NC(=O)C[N+]2(CC)CCCC2)c(C(=O)OCC)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)?
The InChIKey is KKNJAJFVCNYDDM-UHFFFAOYSA-U. The full InChI is InChI=1S/C22H29N3O3.C22H31N3O3.C21H29ClN2O3.C21H27N3O3.2C21H29N3O3.C20H27N3O3.C20H30N2O4.C19H25N3O3.C19H28N2O4.10Y/c1-5-25(12-7-8-13-25)22(10-9-11-22)21(27)24-19-16(3)14-17(23-4)15-18(19)20(26)28-6-2;1-6-11-19(25(7-2)12-9-10-13-25)21(26)24-20-16(4)14-17(23-5)15-18(20)22(27)28-8-3;1-4-24(11-6-7-12-24)21(9-8-10-21)20(26)23-18-15(3)13-16(22)14-17(18)19(25)27-5-2;1-5-24(11-7-8-12-24)21(9-10-21)20(26)23-18-15(3)13-16(22-4)14-17(18)19(25)27-6-2;2*1-6-18(24(7-2)11-9-10-12-24)20(25)23-19-15(4)13-16(22-5)14-17(19)21(26)27-8-3;1-6-23(10-8-9-11-23)15(4)19(24)22-18-14(3)12-16(21-5)13-17(18)20(25)26-7-2;1-6-22(10-8-9-11-22)15(4)19(23)21-18-14(3)12-16(25-5)13-17(18)20(24)26-7-2;1-5-22(9-7-8-10-22)13-17(23)21-18-14(3)11-15(20-4)12-16(18)19(24)25-6-2;1-5-21(9-7-8-10-21)13-17(22)20-18-14(3)11-15(24-4)12-16(18)19(23)25-6-2;;;;;;;;;;/h12,14-15H,5-11,13H2,1-3H3,(H,24,27);14-15,19H,6-13H2,1-4H3;13-14H,4-12H2,1-3H3;13-14H,5-12H2,1-3H3;2*13-14,18H,6-12H2,1-4H3;12-13,15H,6-11H2,1-4H3;10,12-13,15H,6-9,11H2,1-5H3,(H,21,23);11-12H,5-10,13H2,1-3H3;9,11-12H,5-8,10,13H2,1-4H3,(H,20,22);;;;;;;;;;/p+7.
What are the key properties of ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium)?
ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium) has a molecular weight of 4582.26 g/mol, XLogP of 38.27, 66 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-5-id-1-yl)cyclobutanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-5-id-1-yl)propanoylamino]-5-methoxy-3-methylbenzoate;ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-isocyano-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-isocyano-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-isocyano-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-isocyano-3-methylbenzoate;decakis(yttrium) is sourced from PubChem (CID 158469414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).