1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

C13H14N2O4 — CID 50948586

IUPAC1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H14N2O4/c1-8(16)14-10-4-2-3-5-11(10)15-7-9(13(18)19)6-12(15)17/h2-5,9H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyNBJOSSGVWBRDIE-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.08
Rot. Bonds3

About 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 50948586) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID50948586
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H14N2O4/c1-8(16)14-10-4-2-3-5-11(10)15-7-9(13(18)19)6-12(15)17/h2-5,9H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyNBJOSSGVWBRDIE-UHFFFAOYSA-N
XLogP1.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid 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

1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690527
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 168691890
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
1-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50895960
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 50948586) is 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid is CC(=O)Nc1ccccc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NBJOSSGVWBRDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(16)14-10-4-2-3-5-11(10)15-7-9(13(18)19)6-12(15)17/h2-5,9H,6-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50948586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).