Molecule ID: 25201293

IUPAC Name: 2-azaniumyl-4-oxopentanoate

Description: The molecule is zwitterionic form of 2-amino-4-oxopentanoic acid having an anionic carboxy group and a protonated amino group. It derives from a valerate. It is a tautomer of a 2-amino-4-oxopentanoic acid.

SMILES: CC(=O)CC(N)C(=O)O

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

InChI: InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 84.8 Ų
- LogP: -3.1