Molecule ID: 18717148

IUPAC Name: 5-[4-(3,5-dioxohexyl)anilino]-5-oxopentanoic acid

Description: The molecule is a carbamoyl derivative of butyric acid which includes a 1,3-diketone functionality. It has a role as a hapten. It derives from a butyric acid.

SMILES: CC(=O)CC(=O)CCc1ccc(NC(=O)CCCC(=O)O)cc1

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

InChI: InChI=1S/C17H21NO5/c1-12(19)11-15(20)10-7-13-5-8-14(9-6-13)18-16(21)3-2-4-17(22)23/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,21)(H,22,23)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.7