Molecule ID: 135563785

IUPAC Name: 3-(3-aminopropylamino)-4-hydroxybenzoic acid

Description: The molecule is a monohydroxybenzoic acid that is 3-amino-4-hydroxybenzoic acid in which one of the hydrogens attached to the amino group has been replaced by a 3-aminopropyl group. Derivative of aminohydroxybenzoic acid, a novel and abundant metabolite found in Acinetobacter baylyi ADP1 grown on quinate carbon source. It has a role as a bacterial metabolite. It is a primary amino compound, a secondary amino compound and a monohydroxybenzoic acid. It derives from a 3-amino-4-hydroxybenzoic acid.

SMILES: NCCCNc1cc(C(=O)O)ccc1O

SELFIES: [N][C][C][C][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O]

InChI: InChI=1S/C10H14N2O3/c11-4-1-5-12-8-6-7(10(14)15)2-3-9(8)13/h2-3,6,12-13H,1,4-5,11H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 95.6 Ų
- LogP: -1.2