(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide

C13H17N3O2 — CID 22691413

IUPAC(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H17N3O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-3-2-8-14-12/h4-7,12,14H,2-3,8H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyKOKOVSVGDATYOH-LBPRGKRZSA-N
MW247.30 g/mol
LogP1.34
Rot. Bonds3

About (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide

(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide (PubChem CID 22691413) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
PubChem CID22691413
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H17N3O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-3-2-8-14-12/h4-7,12,14H,2-3,8H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyKOKOVSVGDATYOH-LBPRGKRZSA-N
XLogP1.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide (CID 22691413) is (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide?
The InChIKey is KOKOVSVGDATYOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-3-2-8-14-12/h4-7,12,14H,2-3,8H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22691413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).