(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide

C13H16N2O3 — CID 15682110

IUPAC(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CO
InChIInChI=1S/C13H16N2O3/c16-9-15-11(6-7-12(15)17)13(18)14-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,18)/t11-/m0/s1
InChIKeyVKUCQGHARPDPDN-NSHDSACASA-N
MW248.28 g/mol
LogP0.24
Rot. Bonds4

About (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 15682110) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID15682110
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CO
InChIInChI=1S/C13H16N2O3/c16-9-15-11(6-7-12(15)17)13(18)14-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,18)/t11-/m0/s1
InChIKeyVKUCQGHARPDPDN-NSHDSACASA-N
XLogP0.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-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

N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 21291420
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 110408580
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide (CID 15682110) is (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CO.
What is the InChIKey of (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VKUCQGHARPDPDN-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c16-9-15-11(6-7-12(15)17)13(18)14-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,18)/t11-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 15682110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).