Molecule ID: 136041714

IUPAC Name: 2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxylate

Description: The molecule is a monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of 7-carboxy-7-deazaguanine. The major form of 7-carboxy-7-deazaguanine at pH 7.3. It is a conjugate base of a 7-carboxy-7-deazaguanine.

SMILES: N=c1nc([O-])c2c(C(=O)O)c[nH]c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O-1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][NH1][C][=Ring1][Branch2][NH1][Ring1][=N]

InChI: InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -0.6