Molecule ID: 136177057

IUPAC Name: 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]propanoic acid

Description: The molecule is an alanine derivative consisting of alanine having a 6-oxo-6,9-dihydro-1H-purin-2-yl group attached to the amino function. It derives from a guanine.

SMILES: CC(N=c1nc(O)c2nc[nH]c2[nH]1)C(=O)O

SELFIES: [C][C][Branch2][Ring1][C][N][=C][N][=C][Branch1][C][O][C][N][=C][NH1][C][=Ring1][Branch1][NH1][Ring1][#Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H9N5O3/c1-3(7(15)16)11-8-12-5-4(6(14)13-8)9-2-10-5/h2-3H,1H3,(H,15,16)(H3,9,10,11,12,13,14)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -0.7