Molecule ID: 7081594

IUPAC Name: (2S)-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate

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

SMILES: C[C@H](N=C(O)[C@@H]1CCCN1)C(=O)O

SELFIES: [C][C@H1][Branch1][=N][N][=C][Branch1][C][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 85.8 Ų
- LogP: -3.1