Molecule ID: 5460362

IUPAC Name: (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoic acid

Description: The molecule is a dipeptide comprising D-alanine with a D-alanyl residue attached to the alpha-nitrogen. It is a component of bacterial peptidoglycan and forms an important target for development of antibacterial drugs. It has a role as an Escherichia coli metabolite. It is a tautomer of a D-alanyl-D-alanine zwitterion.

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: 92.4 Ų
- LogP: -3.3