(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 93330707

IUPAC(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCN(c2cccc(OC)c2)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-11(2)17-15(19)14-8-9-18(16(14)20)12-6-5-7-13(10-12)21-3/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,17,19)/t11-,14+/m1/s1
InChIKeyHIZUMQWVLQXYFK-RISCZKNCSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds5

About (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 93330707) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID93330707
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCN(c2cccc(OC)c2)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-11(2)17-15(19)14-8-9-18(16(14)20)12-6-5-7-13(10-12)21-3/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,17,19)/t11-,14+/m1/s1
InChIKeyHIZUMQWVLQXYFK-RISCZKNCSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-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

(3S)-N-tert-butyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991023
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
1-(3-bromophenyl)-N-[1-(4-methoxyphenyl)propyl]-2-oxopyrrolidine-3-carboxamide
CID 55876146
(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 93331332
2-oxo-N-(1-phenylethyl)-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 46048961
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
methyl 2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 55871218
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331026
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 93330707) is (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CCN(c2cccc(OC)c2)C1=O.
What is the InChIKey of (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HIZUMQWVLQXYFK-RISCZKNCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11(2)17-15(19)14-8-9-18(16(14)20)12-6-5-7-13(10-12)21-3/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,17,19)/t11-,14+/m1/s1.
What are the key properties of (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93330707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).