tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid

C107H111Cl4F10N13O15 — CID 167638739

IUPACtert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)O.CN(C(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1)c1ccc(F)c(Cl)c1.CN(C(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C)c1ccc(F)c(Cl)c1.Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C27H23ClF4N4O2.C24H28ClFN2O4.C20H17ClF4N4O2.C19H20ClFN2O2.C17H23NO5/c1-16-10-21(27(30,31)32)20(13-33)25(34-16)36-14-19(38-15-17-6-4-3-5-7-17)12-24(36)26(37)35(2)18-8-9-23(29)22(28)11-18;1-24(2,3)32-23(30)28-14-18(31-15-16-8-6-5-7-9-16)13-21(28)22(29)27(4)17-10-11-20(26)19(25)12-17;1-10-5-14(20(23,24)25)13(8-26)18(27-10)29-9-12(30)7-17(29)19(31)28(2)11-3-4-16(22)15(21)6-11;1-23(14-7-8-17(21)16(20)9-14)19(24)18-10-15(11-22-18)25-12-13-5-3-2-4-6-13;1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h3-11,19,24H,12,14-15H2,1-2H3;5-12,18,21H,13-15H2,1-4H3;3-6,12,17,30H,7,9H2,1-2H3;2-9,15,18,22H,10-12H2,1H3;4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t19-,24-;18-,21-;12-,17-;15-,18-;13-,14-/m00000/s1
InChIKeyOVZRLFSIWQUZBP-ZHJWMGJISA-N
MW2150.93 g/mol
LogP20.67
Rot. Bonds23

About tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid

tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid (PubChem CID 167638739) has the molecular formula C107H111Cl4F10N13O15 and a molecular weight of 2150.93 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
PubChem CID167638739
Molecular FormulaC107H111Cl4F10N13O15
Molecular Weight2150.93 g/mol
Exact Mass2147.69
IUPAC Nametert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)O.CN(C(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1)c1ccc(F)c(Cl)c1.CN(C(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C)c1ccc(F)c(Cl)c1.Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C27H23ClF4N4O2.C24H28ClFN2O4.C20H17ClF4N4O2.C19H20ClFN2O2.C17H23NO5/c1-16-10-21(27(30,31)32)20(13-33)25(34-16)36-14-19(38-15-17-6-4-3-5-7-17)12-24(36)26(37)35(2)18-8-9-23(29)22(28)11-18;1-24(2,3)32-23(30)28-14-18(31-15-16-8-6-5-7-9-16)13-21(28)22(29)27(4)17-10-11-20(26)19(25)12-17;1-10-5-14(20(23,24)25)13(8-26)18(27-10)29-9-12(30)7-17(29)19(31)28(2)11-3-4-16(22)15(21)6-11;1-23(14-7-8-17(21)16(20)9-14)19(24)18-10-15(11-22-18)25-12-13-5-3-2-4-6-13;1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h3-11,19,24H,12,14-15H2,1-2H3;5-12,18,21H,13-15H2,1-4H3;3-6,12,17,30H,7,9H2,1-2H3;2-9,15,18,22H,10-12H2,1H3;4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t19-,24-;18-,21-;12-,17-;15-,18-;13-,14-/m00000/s1
InChIKeyOVZRLFSIWQUZBP-ZHJWMGJISA-N
XLogP20.67
TPSA326.64 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002150.93
LogP ≤ 520.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,3R)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methylazetidine-2-carboxamide
CID 177383290
(2S,3R)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3-(difluoromethyl)-N-methylazetidine-2-carboxamide
CID 177383292
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methyl-(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate;(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,4S)-4-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 167632675
boranuide;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[(4-chlorophenyl)methoxy]pyrrolidine-1,2-dicarboxylate;carbanide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;deuteride;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methane;methyl (2S,4R)-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-phenylbutanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylate
CID 160696071
1,4-bis(bromomethyl)benzene;tert-butyl (2S,4S)-4-[[4-[[(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-phenylethylcarbamoyl)pyrrolidin-3-yl]oxymethyl]phenyl]methoxy]-2-(2-phenylethylcarbamoyl)pyrrolidine-1-carboxylate;(2S,4S)-4-[[4-[[(3S,5S)-5-carboxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxymethyl]phenyl]methoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;dichloromethane;(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;2-phenylethanamine;(2S,4S)-N-(2-phenylethyl)-4-[[4-[[(3S,5S)-5-(2-phenylethylcarbamoyl)pyrrolidin-3-yl]oxymethyl]phenyl]methoxy]pyrrolidine-2-carboxamide
CID 158755497
(2R,4S)-4-[(4-fluorophenyl)methoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 176761437
tert-butyl (4S)-2-[(4-fluorophenyl)-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 169073264
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-phenylmethoxyethoxy)pyrrolidine-2-carboxylic acid
CID 20752373
tert-butyl (2S,4S)-2-acetyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 170193477
tert-butyl (2R,4S)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2R,4S)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide;(2R,4S)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline
CID 167689723
tert-butyl (2S,4S)-2-[(4-fluoro-3-methylphenyl)carbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate
CID 156637438
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenylmethoxypropoxy)pyrrolidine-2-carboxylic acid
CID 59979471

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid?
The IUPAC name of tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid (CID 167638739) is tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)O.CN(C(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1)c1ccc(F)c(Cl)c1.CN(C(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C)c1ccc(F)c(Cl)c1.Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](O)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.Cc1cc(C(F)(F)F)c(C#N)c(N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid?
The InChIKey is OVZRLFSIWQUZBP-ZHJWMGJISA-N. The full InChI is InChI=1S/C27H23ClF4N4O2.C24H28ClFN2O4.C20H17ClF4N4O2.C19H20ClFN2O2.C17H23NO5/c1-16-10-21(27(30,31)32)20(13-33)25(34-16)36-14-19(38-15-17-6-4-3-5-7-17)12-24(36)26(37)35(2)18-8-9-23(29)22(28)11-18;1-24(2,3)32-23(30)28-14-18(31-15-16-8-6-5-7-9-16)13-21(28)22(29)27(4)17-10-11-20(26)19(25)12-17;1-10-5-14(20(23,24)25)13(8-26)18(27-10)29-9-12(30)7-17(29)19(31)28(2)11-3-4-16(22)15(21)6-11;1-23(14-7-8-17(21)16(20)9-14)19(24)18-10-15(11-22-18)25-12-13-5-3-2-4-6-13;1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h3-11,19,24H,12,14-15H2,1-2H3;5-12,18,21H,13-15H2,1-4H3;3-6,12,17,30H,7,9H2,1-2H3;2-9,15,18,22H,10-12H2,1H3;4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t19-,24-;18-,21-;12-,17-;15-,18-;13-,14-/m00000/s1.
What are the key properties of tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid?
tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid has a molecular weight of 2150.93 g/mol, XLogP of 20.67, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[(3-chloro-4-fluorophenyl)-methylcarbamoyl]-4-phenylmethoxypyrrolidine-1-carboxylate;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-4-phenylmethoxypyrrolidine-2-carboxamide;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167638739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).