(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C13H14N2O3 — CID 89035815

IUPAC(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C13H14N2O3/c16-12(9-10-5-2-1-3-6-10)15-8-4-7-11(15)13(17)14-18/h1-3,5-6,11H,4,7-9H2/t11-/m0/s1
InChIKeyZPCZOHSHDWUUAQ-NSHDSACASA-N
MW246.27 g/mol
LogP1.51
Rot. Bonds3

About (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 89035815) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID89035815
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C13H14N2O3/c16-12(9-10-5-2-1-3-6-10)15-8-4-7-11(15)13(17)14-18/h1-3,5-6,11H,4,7-9H2/t11-/m0/s1
InChIKeyZPCZOHSHDWUUAQ-NSHDSACASA-N
XLogP1.51
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 119374745
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
2-phenyl-1-[2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 47721714
N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47881551
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 119423409
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
methyl 4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 47897958

Frequently Asked Questions

What is the IUPAC name of (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 89035815) is (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is ZPCZOHSHDWUUAQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(9-10-5-2-1-3-6-10)15-8-4-7-11(15)13(17)14-18/h1-3,5-6,11H,4,7-9H2/t11-/m0/s1.
What are the key properties of (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 89035815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).