2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid

C11H16N2O2 — CID 63074788

IUPAC2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1ncn(C2CCCC2C(=O)O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)13(6-12-7)10-5-3-4-9(10)11(14)15/h6,9-10H,3-5H2,1-2H3,(H,14,15)
InChIKeyAMSSCJAYGAUKSF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid

2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 63074788) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID63074788
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1ncn(C2CCCC2C(=O)O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)13(6-12-7)10-5-3-4-9(10)11(14)15/h6,9-10H,3-5H2,1-2H3,(H,14,15)
InChIKeyAMSSCJAYGAUKSF-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid (CID 63074788) is 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid is Cc1ncn(C2CCCC2C(=O)O)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is AMSSCJAYGAUKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-8(2)13(6-12-7)10-5-3-4-9(10)11(14)15/h6,9-10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid?
2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63074788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).