Molecule ID: 7019935

IUPAC Name: 2-[[(2S)-2-azaniumylbutanoyl]amino]acetate

Description: The molecule is a zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of N-[(2S)-2-aminobutanoyl]glycine. The major species at pH 7.3. It is a tautomer of a N-[(2S)-2-aminobutanoyl]glycine.

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

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

InChI: InChI=1S/C6H12N2O3/c1-2-4(7)6(11)8-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -2.5