3-cyclopentylimidazole-4-carboxylic acid

C9H12N2O2 — CID 83875408

IUPAC3-cyclopentylimidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1C1CCCC1
InChIInChI=1S/C9H12N2O2/c12-9(13)8-5-10-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13)
InChIKeyZUDYDHANHNMVOC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.70
Rot. Bonds2

About 3-cyclopentylimidazole-4-carboxylic acid

3-cyclopentylimidazole-4-carboxylic acid (PubChem CID 83875408) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-cyclopentylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentylimidazole-4-carboxylic acid
PubChem CID83875408
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-cyclopentylimidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1C1CCCC1
InChIInChI=1S/C9H12N2O2/c12-9(13)8-5-10-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13)
InChIKeyZUDYDHANHNMVOC-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-4-yl)imidazole-4-carboxylic acid
CID 83679108
3-(thietan-3-yl)imidazole-4-carboxylic acid
CID 84732653
3-(oxetan-3-yl)imidazole-4-carboxylic acid
CID 84731727
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide
CID 83878931
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
3-cyclobutylimidazole-4-carboximidamide
CID 83873239
4-(3-cyclopropylimidazol-4-yl)-2-methyl-4-oxobutanoic acid
CID 66161909
3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 66141668
1-[(3-cyclopropylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66141272

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylimidazole-4-carboxylic acid?
The IUPAC name of 3-cyclopentylimidazole-4-carboxylic acid (CID 83875408) is 3-cyclopentylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopentylimidazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopentylimidazole-4-carboxylic acid is O=C(O)c1cncn1C1CCCC1.
What is the InChIKey of 3-cyclopentylimidazole-4-carboxylic acid?
The InChIKey is ZUDYDHANHNMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)8-5-10-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13).
What are the key properties of 3-cyclopentylimidazole-4-carboxylic acid?
3-cyclopentylimidazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylimidazole-4-carboxylic acid is sourced from PubChem (CID 83875408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).