(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C20H23N5O3 — CID 67394023

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NCc1ccncc1
InChIInChI=1S/C20H23N5O3/c21-11-18(26)25-13-16(24-19(27)15-4-2-1-3-5-15)10-17(25)20(28)23-12-14-6-8-22-9-7-14/h1-9,16-17H,10-13,21H2,(H,23,28)(H,24,27)/t16-,17+/m1/s1
InChIKeyYFJOARXPDIFFHT-SJORKVTESA-N
MW381.44 g/mol
LogP0.06
Rot. Bonds6

About (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 67394023) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID67394023
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NCc1ccncc1
InChIInChI=1S/C20H23N5O3/c21-11-18(26)25-13-16(24-19(27)15-4-2-1-3-5-15)10-17(25)20(28)23-12-14-6-8-22-9-7-14/h1-9,16-17H,10-13,21H2,(H,23,28)(H,24,27)/t16-,17+/m1/s1
InChIKeyYFJOARXPDIFFHT-SJORKVTESA-N
XLogP0.06
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide 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

(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
CID 16735101
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
1-(2-aminoacetyl)-4-benzamido-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 77277633
N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
CID 67393372
1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
CID 67392649
(2S,4R)-N-[[4-(aminomethyl)phenyl]methyl]-1-(4-phenylbutanoyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 167175944
(2S,4R)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 16738245
(2S,4R)-1-(2-aminoacetyl)-4-[(2-methylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 67394288
4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69260699
4-benzamido-1-[2-(1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69262252
(2S,4R)-N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-2-amino-4-phenylbutanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139553928
(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102449185

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 67394023) is (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)NCc1ccncc1.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is YFJOARXPDIFFHT-SJORKVTESA-N. The full InChI is InChI=1S/C20H23N5O3/c21-11-18(26)25-13-16(24-19(27)15-4-2-1-3-5-15)10-17(25)20(28)23-12-14-6-8-22-9-7-14/h1-9,16-17H,10-13,21H2,(H,23,28)(H,24,27)/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67394023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).