Molecule ID: 6992112

IUPAC Name: (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]propanoate

Description: The molecule is a dipeptide zwitterion that is the zwitterionic form of D-alanyl-D-alanine arising from migration of a proton from the OH of the carboxy terminus to the amino terminus. It has a role as an Escherichia coli metabolite. It is a tautomer of a D-alanyl-D-alanine.

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

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

InChI: InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -2.6