Molecule ID: 7019936

IUPAC Name: 2-[[(2S)-2-aminobutanoyl]amino]acetic acid

Description: The molecule is a dipeptide resulting from the formal condensation of the carboxy group of L-alpha-aminobutyric acid [(2S)-2-aminobutanoic acid] with the amino group of glycine. It is a dipeptide, a glycine derivative, a secondary carboxamide, a primary amino compound and a carboxylic acid. It derives from a L-alpha-aminobutyric acid. It is a tautomer of a N-[(2S)-2-ammoniobutanoyl]glycinate.

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: 92.4 Ų
- LogP: -3.1