Molecule ID: 15145671

IUPAC Name: 6-[[5-(4-nitrophenoxy)-5-oxopentanoyl]amino]hexanoic acid

Description: The molecule is a monocarboxylic acid amide compound having an N-(5-carboxypentyl) substituent and a C-[4-(4-nitrophenoxy)-4-oxobutyl)] substituent. It is a monocarboxylic acid, a C-nitro compound, a carboxylic ester and a monocarboxylic acid amide. It derives from a 6-aminohexanoic acid.

SMILES: O=C(O)CCCCCN=C(O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1

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

InChI: InChI=1S/C17H22N2O7/c20-15(18-12-3-1-2-6-16(21)22)5-4-7-17(23)26-14-10-8-13(9-11-14)19(24)25/h8-11H,1-7,12H2,(H,18,20)(H,21,22)

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 1.6