4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid

C13H20N2O2 — CID 84699542

IUPAC4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid
SMILESCn1cc(C2CCCC2)nc1CCCC(=O)O
InChIInChI=1S/C13H20N2O2/c1-15-9-11(10-5-2-3-6-10)14-12(15)7-4-8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyIYZJEFDUWZPUBH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.48
Rot. Bonds5

About 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid

4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid (PubChem CID 84699542) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid
PubChem CID84699542
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid
SMILESCn1cc(C2CCCC2)nc1CCCC(=O)O
InChIInChI=1S/C13H20N2O2/c1-15-9-11(10-5-2-3-6-10)14-12(15)7-4-8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyIYZJEFDUWZPUBH-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid (CID 84699542) is 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid is Cn1cc(C2CCCC2)nc1CCCC(=O)O.
What is the InChIKey of 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid?
The InChIKey is IYZJEFDUWZPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-9-11(10-5-2-3-6-10)14-12(15)7-4-8-13(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid?
4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-1-methylimidazol-2-yl)butanoic acid is sourced from PubChem (CID 84699542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).