3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid

C11H10N2O6 — CID 89222558

IUPAC3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid
SMILESO=CCNC(=O)c1cc(C(=O)O)cc(C(=O)NO)c1
InChIInChI=1S/C11H10N2O6/c14-2-1-12-9(15)6-3-7(10(16)13-19)5-8(4-6)11(17)18/h2-5,19H,1H2,(H,12,15)(H,13,16)(H,17,18)
InChIKeyWNZYPYCGFLUKPR-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.57
Rot. Bonds5

About 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid

3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid (PubChem CID 89222558) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid
PubChem CID89222558
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid
SMILESO=CCNC(=O)c1cc(C(=O)O)cc(C(=O)NO)c1
InChIInChI=1S/C11H10N2O6/c14-2-1-12-9(15)6-3-7(10(16)13-19)5-8(4-6)11(17)18/h2-5,19H,1H2,(H,12,15)(H,13,16)(H,17,18)
InChIKeyWNZYPYCGFLUKPR-UHFFFAOYSA-N
XLogP-0.57
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)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

1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
4-amino-N-(2-oxoethyl)benzamide
CID 54395026
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3,5-dibromo-N-(3-methylbut-2-enyl)benzamide
CID 106189386
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
CID 154668563
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid?
The IUPAC name of 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid (CID 89222558) is 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid.
What is the SMILES notation for 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid?
The canonical SMILES for 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid is O=CCNC(=O)c1cc(C(=O)O)cc(C(=O)NO)c1.
What is the InChIKey of 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid?
The InChIKey is WNZYPYCGFLUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c14-2-1-12-9(15)6-3-7(10(16)13-19)5-8(4-6)11(17)18/h2-5,19H,1H2,(H,12,15)(H,13,16)(H,17,18).
What are the key properties of 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid?
3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid has a molecular weight of 266.21 g/mol, XLogP of -0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxycarbamoyl)-5-(2-oxoethylcarbamoyl)benzoic acid is sourced from PubChem (CID 89222558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).