4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

C13H14N2O5 — CID 107264609

IUPAC4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCN1CC(C(=O)Nc2cc(C(=O)O)ccc2O)CC1=O
InChIInChI=1S/C13H14N2O5/c1-15-6-8(5-11(15)17)12(18)14-9-4-7(13(19)20)2-3-10(9)16/h2-4,8,16H,5-6H2,1H3,(H,14,18)(H,19,20)
InChIKeyZZCIWTBICGFQTR-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.51
Rot. Bonds3

About 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 107264609) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID107264609
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCN1CC(C(=O)Nc2cc(C(=O)O)ccc2O)CC1=O
InChIInChI=1S/C13H14N2O5/c1-15-6-8(5-11(15)17)12(18)14-9-4-7(13(19)20)2-3-10(9)16/h2-4,8,16H,5-6H2,1H3,(H,14,18)(H,19,20)
InChIKeyZZCIWTBICGFQTR-UHFFFAOYSA-N
XLogP0.51
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]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

3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 108753950
3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-hydroxybenzoic acid
CID 108753947
(3R)-N-(3-benzoylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7343636
4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
CID 107265228
N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119439924
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoic acid
CID 108801215
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196327
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
1-methyl-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42956829
3-[(2-aminocyclopentanecarbonyl)amino]-4-hydroxybenzoic acid
CID 107265105

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (CID 107264609) is 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is CN1CC(C(=O)Nc2cc(C(=O)O)ccc2O)CC1=O.
What is the InChIKey of 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is ZZCIWTBICGFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-15-6-8(5-11(15)17)12(18)14-9-4-7(13(19)20)2-3-10(9)16/h2-4,8,16H,5-6H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107264609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).