Molecule ID: 53477633

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

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

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

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

InChI: InChI=1S/C12H15N5O3/c18-8(19)4-2-1-3-5-13-12(20)10-9-11(16-6-14-9)17-7-15-10/h6-7H,1-5H2,(H,13,20)(H,18,19)(H,14,15,16,17)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 0.3