Molecule ID: 53477634

IUPAC Name: 2-(7H-purine-6-carbonylamino)acetic acid

Description: The molecule is a purine derivative that consists of glycine having a purin-6-oyl group attached to the amino function via an amide bond. It is a member of purines, a monocarboxylic acid amide and a N-acylglycine. It derives from a glycine.

SMILES: O=C(O)CN=C(O)c1nc[nH]c2ncnc1-2

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

InChI: InChI=1S/C8H7N5O3/c14-4(15)1-9-8(16)6-5-7(12-2-10-5)13-3-11-6/h2-3H,1H2,(H,9,16)(H,14,15)(H,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -0.7