Molecule ID: 6971072

IUPAC Name: 3-azaniumylpentanedioate

Description: The molecule is a beta-amino-acid anion that is the conjugate base of isoglutamic acid, obtained by deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3. It is a conjugate base of an isoglutamic acid.

SMILES: NC(CC(=O)[O-])CC(=O)O

SELFIES: [N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -2.6