(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

C11H12FN3O2 — CID 95039569

IUPAC(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESNc1ccc(F)cc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H12FN3O2/c12-6-1-2-7(13)9(5-6)15-11(17)8-3-4-10(16)14-8/h1-2,5,8H,3-4,13H2,(H,14,16)(H,15,17)/t8-/m0/s1
InChIKeyRXUOYHUVJIVIJK-QMMMGPOBSA-N
MW237.23 g/mol
LogP0.62
Rot. Bonds2

About (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 95039569) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID95039569
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESNc1ccc(F)cc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H12FN3O2/c12-6-1-2-7(13)9(5-6)15-11(17)8-3-4-10(16)14-8/h1-2,5,8H,3-4,13H2,(H,14,16)(H,15,17)/t8-/m0/s1
InChIKeyRXUOYHUVJIVIJK-QMMMGPOBSA-N
XLogP0.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103754877
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
CID 60814898
4-fluoroaniline;4-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 68846597
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
(3S)-N-(2,5-difluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986397
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 55178259
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 95039569) is (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is Nc1ccc(F)cc1NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RXUOYHUVJIVIJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-6-1-2-7(13)9(5-6)15-11(17)8-3-4-10(16)14-8/h1-2,5,8H,3-4,13H2,(H,14,16)(H,15,17)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95039569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).