Molecule ID: 6993110

IUPAC Name: 2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]acetate

Description: The molecule is a dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Val-Gly. It has a role as a metabolite. It is a tautomer of a Val-Gly.

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

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

InChI: InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -2.0