Molecule ID: 444167

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

Description: The molecule is an N-acylamino acid consisting of 6-aminohexanoic acid bearing an N-(4-hydroxy-3-nitrophenyl)acetyl substituent. It is a N-acyl-amino acid and a member of 2-nitrophenols. It derives from a 6-aminohexanoic acid. It is a conjugate acid of a 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproate.

SMILES: O=C(O)CCCCCN=C(O)Cc1ccc(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][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]

InChI: InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 1.7