(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide

C15H19N3O3 — CID 169260137

IUPAC(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-10(17-14(20)11-6-3-2-4-7-11)15(21)18-9-5-8-12(18)13(16)19/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,16,19)(H,17,20)/t10-,12-/m0/s1
InChIKeyLKESUPCQMCJFSE-JQWIXIFHSA-N
MW289.33 g/mol
LogP0.28
Rot. Bonds4

About (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide (PubChem CID 169260137) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
PubChem CID169260137
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-10(17-14(20)11-6-3-2-4-7-11)15(21)18-9-5-8-12(18)13(16)19/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,16,19)(H,17,20)/t10-,12-/m0/s1
InChIKeyLKESUPCQMCJFSE-JQWIXIFHSA-N
XLogP0.28
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2S)-2-benzamidopropanoyl]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

(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
(2S)-1-[(2S)-2-benzamidopropanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54309979
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
(2S)-1-(2-benzamido-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 135315648
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475
2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-phenylpropanoic acid
CID 70044514
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
1-[2-[[(2R)-2-benzamido-3-benzoylsulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 88695614
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 134827423
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 22665693
methyl N-[(1R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71164933
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 167107214

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide (CID 169260137) is (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide?
The InChIKey is LKESUPCQMCJFSE-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(17-14(20)11-6-3-2-4-7-11)15(21)18-9-5-8-12(18)13(16)19/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,16,19)(H,17,20)/t10-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 169260137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).