Molecule ID: 56927825

IUPAC Name: 6-[[2-(3-bromo-4-hydroxy-5-nitrophenyl)acetyl]amino]hexanoic acid

Description: The molecule is an N-acylamino acid that consists of 6-aminohexanoic acid bearing an N-(3-bromo-4-hydroxy-5-nitrophenyl)acetyl substituent. It is a N-acyl-amino acid, an organobromine compound and a member of 2-nitrophenols. It derives from a 6-aminohexanoic acid.

SMILES: O=C(O)CCCCCN=C(O)Cc1cc(Br)c(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][Br][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]

InChI: InChI=1S/C14H17BrN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 2.4