N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide

C130H153F8N21O14S — CID 158156110

IUPACN-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(F)cc1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccc(F)c1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccn1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccnc1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccncc1)Cc1ccccc1F
InChIInChI=1S/C23H28FN3O4S.2C22H25F2N3O2.3C21H25FN4O2/c1-32(30,31)20-10-8-16(9-11-20)23(29)26-15-19-6-4-12-27(19)22(28)14-18(25)13-17-5-2-3-7-21(17)24;23-17-7-3-6-16(11-17)22(29)26-14-19-8-4-10-27(19)21(28)13-18(25)12-15-5-1-2-9-20(15)24;23-17-9-7-15(8-10-17)22(29)26-14-19-5-3-11-27(19)21(28)13-18(25)12-16-4-1-2-6-20(16)24;22-19-8-2-1-5-15(19)11-17(23)12-20(27)26-10-4-7-18(26)14-25-21(28)16-6-3-9-24-13-16;22-18-8-2-1-6-15(18)12-16(23)13-20(27)26-11-5-7-17(26)14-25-21(28)19-9-3-4-10-24-19;22-19-6-2-1-4-16(19)12-17(23)13-20(27)26-11-3-5-18(26)14-25-21(28)15-7-9-24-10-8-15/h2-3,5,7-11,18-19H,4,6,12-15,25H2,1H3,(H,26,29);1-3,5-7,9,11,18-19H,4,8,10,12-14,25H2,(H,26,29);1-2,4,6-10,18-19H,3,5,11-14,25H2,(H,26,29);1-3,5-6,8-9,13,17-18H,4,7,10-12,14,23H2,(H,25,28);1-4,6,8-10,16-17H,5,7,11-14,23H2,(H,25,28);1-2,4,6-10,17-18H,3,5,11-14,23H2,(H,25,28)/t3*18-,19+;17-,18+;16-,17+;17-,18+/m111111/s1
InChIKeyFVSACDSOYUMJTG-YOYGKTHLSA-N
MW2417.84 g/mol
LogP12.91
Rot. Bonds43

About N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide

N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 158156110) has the molecular formula C130H153F8N21O14S and a molecular weight of 2417.84 g/mol. Its IUPAC name is N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
PubChem CID158156110
Molecular FormulaC130H153F8N21O14S
Molecular Weight2417.84 g/mol
Exact Mass2416.15
IUPAC NameN-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(F)cc1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccc(F)c1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccn1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccnc1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccncc1)Cc1ccccc1F
InChIInChI=1S/C23H28FN3O4S.2C22H25F2N3O2.3C21H25FN4O2/c1-32(30,31)20-10-8-16(9-11-20)23(29)26-15-19-6-4-12-27(19)22(28)14-18(25)13-17-5-2-3-7-21(17)24;23-17-7-3-6-16(11-17)22(29)26-14-19-8-4-10-27(19)21(28)13-18(25)12-15-5-1-2-9-20(15)24;23-17-9-7-15(8-10-17)22(29)26-14-19-5-3-11-27(19)21(28)13-18(25)12-16-4-1-2-6-20(16)24;22-19-8-2-1-5-15(19)11-17(23)12-20(27)26-10-4-7-18(26)14-25-21(28)16-6-3-9-24-13-16;22-18-8-2-1-6-15(18)12-16(23)13-20(27)26-11-5-7-17(26)14-25-21(28)19-9-3-4-10-24-19;22-19-6-2-1-4-16(19)12-17(23)13-20(27)26-11-3-5-18(26)14-25-21(28)15-7-9-24-10-8-15/h2-3,5,7-11,18-19H,4,6,12-15,25H2,1H3,(H,26,29);1-3,5-7,9,11,18-19H,4,8,10,12-14,25H2,(H,26,29);1-2,4,6-10,18-19H,3,5,11-14,25H2,(H,26,29);1-3,5-6,8-9,13,17-18H,4,7,10-12,14,23H2,(H,25,28);1-4,6,8-10,16-17H,5,7,11-14,23H2,(H,25,28);1-2,4,6-10,17-18H,3,5,11-14,23H2,(H,25,28)/t3*18-,19+;17-,18+;16-,17+;17-,18+/m111111/s1
InChIKeyFVSACDSOYUMJTG-YOYGKTHLSA-N
XLogP12.91
TPSA525.39 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds43
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002417.84
LogP ≤ 512.91
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide
CID 45269961
N-[[(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 42608447
N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-ethylbenzenesulfonamide
CID 71168416
(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 59651765
(3R)-3-amino-1-[(2S)-2-[(2-fluoroanilino)methyl]pyrrolidin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 70207962
N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-2,5-dichlorobenzenesulfonamide
CID 45269122
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 44561118
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 10178068
(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 143151309
(3R)-3-amino-4-(2-fluorophenyl)-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 11689751
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
N-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide
CID 59651803

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (CID 158156110) is N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(F)cc1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccc(F)c1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccn1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccnc1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccncc1)Cc1ccccc1F.
What is the InChIKey of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is FVSACDSOYUMJTG-YOYGKTHLSA-N. The full InChI is InChI=1S/C23H28FN3O4S.2C22H25F2N3O2.3C21H25FN4O2/c1-32(30,31)20-10-8-16(9-11-20)23(29)26-15-19-6-4-12-27(19)22(28)14-18(25)13-17-5-2-3-7-21(17)24;23-17-7-3-6-16(11-17)22(29)26-14-19-8-4-10-27(19)21(28)13-18(25)12-15-5-1-2-9-20(15)24;23-17-9-7-15(8-10-17)22(29)26-14-19-5-3-11-27(19)21(28)13-18(25)12-16-4-1-2-6-20(16)24;22-19-8-2-1-5-15(19)11-17(23)12-20(27)26-10-4-7-18(26)14-25-21(28)16-6-3-9-24-13-16;22-18-8-2-1-6-15(18)12-16(23)13-20(27)26-11-5-7-17(26)14-25-21(28)19-9-3-4-10-24-19;22-19-6-2-1-4-16(19)12-17(23)13-20(27)26-11-3-5-18(26)14-25-21(28)15-7-9-24-10-8-15/h2-3,5,7-11,18-19H,4,6,12-15,25H2,1H3,(H,26,29);1-3,5-7,9,11,18-19H,4,8,10,12-14,25H2,(H,26,29);1-2,4,6-10,18-19H,3,5,11-14,25H2,(H,26,29);1-3,5-6,8-9,13,17-18H,4,7,10-12,14,23H2,(H,25,28);1-4,6,8-10,16-17H,5,7,11-14,23H2,(H,25,28);1-2,4,6-10,17-18H,3,5,11-14,23H2,(H,25,28)/t3*18-,19+;17-,18+;16-,17+;17-,18+/m111111/s1.
What are the key properties of N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 2417.84 g/mol, XLogP of 12.91, 43 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-fluorobenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-4-methylsulfonylbenzamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide;N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 158156110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).