Molecule ID: 6992868

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

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

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

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

InChI: InChI=1S/C8H16N2O3/c1-3-5(2)7(9)8(13)10-4-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,7-/m0/s1

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