Molecule ID: 46878420

IUPAC Name: (2S)-2-azaniumyl-4-(3-carboxylatopropanoyloxy)butanoate

Description: The molecule is an alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3. It has a role as an Escherichia coli metabolite and a Saccharomyces cerevisiae metabolite. It is a dicarboxylic acid anion and an alpha-amino-acid anion. It is a conjugate base of an O-succinyl-L-homoserine.

SMILES: N[C@@H](CCOC(=O)CCC(=O)[O-])C(=O)O

SELFIES: [N][C@@H1][Branch1][#C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/p-1/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -2.4