Molecule ID: 44224034

IUPAC Name: 6-[(4-hydroxy-3-nitrobenzoyl)amino]hexanoic acid

Description: The molecule is a monocarboxylic acid amide having an N-(5-carboxypentyl) substituent and a C-(4-hydroxy-3-nitrophenyl) substituent. It is a monocarboxylic acid, a member of 2-nitrophenols and a N-acyl-amino acid. It derives from a 6-aminohexanoic acid.

SMILES: O=C(O)CCCCCN=C(O)c1ccc(O)c([N+](=O)[O-])c1

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][N][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]

InChI: InChI=1S/C13H16N2O6/c16-11-6-5-9(8-10(11)15(20)21)13(19)14-7-3-1-2-4-12(17)18/h5-6,8,16H,1-4,7H2,(H,14,19)(H,17,18)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 1.8