2-Aminobenzoic acid; N-Ac 

AlkaPlorer ID: AK045542

Synonym: 2-(Acetylamino)benzoic acid, 2-Acetamidobenzoic acid, N-Acetylanthranilic acid, Lappaconitic acid 

IUPAC Name: 2-acetamidobenzoic acid

Structure

SMILES: CC(=O)NC1=CC=CC=C1C(=O)O

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InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

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InChIKey: QSACCXVHEVWNMX-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 179.17499999999995

TPSA: 66.4

MolLogP: 1.3432

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001307 C#[O+].CC(=O)Nc1ccccc1C(=O)O>>Cc1[nH]c2ccccc2c(=O)c1O MNXR149157
AKRT004050 CC(=O)Nc1ccccc1C(=O)O>>CC(=O)O enzymemap_78153
AKRT004051 CC(=O)Nc1ccccc1C(=O)O>>Nc1ccccc1C(=O)O enzymemap_78153
AKRT004745 CC(=O)[CoA].Nc1ccccc1C(=O)O>>CC(=O)Nc1ccccc1C(=O)O 28550
AKRT014795 Cc1[nH]c2ccccc2c(=O)c1O>>CC(=O)Nc1ccccc1C(=O)O 1.13.11.48-RXN