Molecule ID: 6971253

IUPAC Name: (2S)-2-azaniumyl-3-cyanopropanoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-cyano-L-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of a 3-cyano-L-alaninate. It is a tautomer of a 3-cyano-L-alanine.

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

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

InChI: InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: -3.0