3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid

C13H14N2O4 — CID 22253004

IUPAC3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESCC(=O)Nc1cc(C(=O)O)cc(N2CCCC2=O)c1
InChIInChI=1S/C13H14N2O4/c1-8(16)14-10-5-9(13(18)19)6-11(7-10)15-4-2-3-12(15)17/h5-7H,2-4H2,1H3,(H,14,16)(H,18,19)
InChIKeyFETKOHOCWUMDLR-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.47
Rot. Bonds3

About 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid

3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 22253004) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID22253004
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESCC(=O)Nc1cc(C(=O)O)cc(N2CCCC2=O)c1
InChIInChI=1S/C13H14N2O4/c1-8(16)14-10-5-9(13(18)19)6-11(7-10)15-4-2-3-12(15)17/h5-7H,2-4H2,1H3,(H,14,16)(H,18,19)
InChIKeyFETKOHOCWUMDLR-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic 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

N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
methyl 3-(2-oxopyrrolidin-1-yl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67438703
methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69358703
5-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrrolidin-2-one
CID 174500100
N-[4-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanylphenyl]acetamide
CID 8881981
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-butan-2-yloxy-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253006
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid (CID 22253004) is 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid is CC(=O)Nc1cc(C(=O)O)cc(N2CCCC2=O)c1.
What is the InChIKey of 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is FETKOHOCWUMDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(16)14-10-5-9(13(18)19)6-11(7-10)15-4-2-3-12(15)17/h5-7H,2-4H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid?
3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 262.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 22253004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).