Molecule ID: 1548899

IUPAC Name: (2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate

Description: The molecule is a dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Leu. Major species at pH 7.3. It is a tautomer of a Gly-Leu.

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

SELFIES: [C][C][Branch1][C][C][C][C@H1][Branch1][Branch2][N][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -1.7