Molecule ID: 49791979

IUPAC Name: (2S)-2-azaniumyl-5-oxopentanoate

Description: The molecule is zwitterionic form of homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a L-glutamic 5-semialdehyde.

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

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

InChI: InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 84.8 Ų
- LogP: -2.9