8-cyclopentyl-7H-purine-6-carboxylic acid

C11H12N4O2 — CID 170765661

IUPAC8-cyclopentyl-7H-purine-6-carboxylic acid
SMILESO=C(O)c1ncnc2nc(C3CCCC3)[nH]c12
InChIInChI=1S/C11H12N4O2/c16-11(17)8-7-10(13-5-12-8)15-9(14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,16,17)(H,12,13,14,15)
InChIKeyOBZGJWUHNSCAQS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.71
Rot. Bonds2

About 8-cyclopentyl-7H-purine-6-carboxylic acid

8-cyclopentyl-7H-purine-6-carboxylic acid (PubChem CID 170765661) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 8-cyclopentyl-7H-purine-6-carboxylic acid.

Molecular Properties

Compound Name8-cyclopentyl-7H-purine-6-carboxylic acid
PubChem CID170765661
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name8-cyclopentyl-7H-purine-6-carboxylic acid
SMILESO=C(O)c1ncnc2nc(C3CCCC3)[nH]c12
InChIInChI=1S/C11H12N4O2/c16-11(17)8-7-10(13-5-12-8)15-9(14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,16,17)(H,12,13,14,15)
InChIKeyOBZGJWUHNSCAQS-UHFFFAOYSA-N
XLogP1.71
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclohexyl-6-methyl-7H-purine
CID 20698028
4-[3-[[(8-cyclopentyl-7H-purine-6-carbonyl)amino]methyl]-5-fluoroanilino]benzoic acid
CID 170765798
2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid
CID 82373662
8-cyclopentyl-N-[[3-fluoro-5-(4-methoxyanilino)phenyl]methyl]-7H-purine-6-carboxamide
CID 170765656
8-cyclopentyl-N-[[3-fluoro-5-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7H-purine-6-carboxamide
CID 139327464
8-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide
CID 139327380
2-cyclohexyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80502932
8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide
CID 170765863
8-cyclopentyl-N-[[3-[C-[(Z)-2-cyclopropylprop-1-enyl]-N-methylcarbonimidoyl]-5-fluorophenyl]methyl]-7H-purine-6-carboxamide
CID 167067383
2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
8-cyclopentyl-N-[[3-[3-(2,2-difluoroethyl)-1,2-dihydrotriazol-5-yl]-5-fluorophenyl]methyl]-7H-purine-6-carboxamide
CID 139332806
N-cyclohexyl-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 123817680

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7H-purine-6-carboxylic acid?
The IUPAC name of 8-cyclopentyl-7H-purine-6-carboxylic acid (CID 170765661) is 8-cyclopentyl-7H-purine-6-carboxylic acid.
What is the SMILES notation for 8-cyclopentyl-7H-purine-6-carboxylic acid?
The canonical SMILES for 8-cyclopentyl-7H-purine-6-carboxylic acid is O=C(O)c1ncnc2nc(C3CCCC3)[nH]c12.
What is the InChIKey of 8-cyclopentyl-7H-purine-6-carboxylic acid?
The InChIKey is OBZGJWUHNSCAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(17)8-7-10(13-5-12-8)15-9(14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,16,17)(H,12,13,14,15).
What are the key properties of 8-cyclopentyl-7H-purine-6-carboxylic acid?
8-cyclopentyl-7H-purine-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7H-purine-6-carboxylic acid is sourced from PubChem (CID 170765661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).