Molecule ID: 5287708

IUPAC Name: (2S)-2-azaniumyl-4-oxobutanoate

Description: The molecule is the betaine obtained by transfer of a proton from the carboxylic acid group to the amino group of L-aspartic acid 4-semialdehyde. It is a tautomer of a L-aspartic 4-semialdehyde.

SMILES: N[C@@H](CC=O)C(=O)O

SELFIES: [N][C@@H1][Branch1][Ring2][C][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 84.8 Ų
- LogP: -3.3