1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid

C10H14N2O2 — CID 82401114

IUPAC1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid
SMILESCn1cncc1C1(C(=O)O)CCCC1
InChIInChI=1S/C10H14N2O2/c1-12-7-11-6-8(12)10(9(13)14)4-2-3-5-10/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyJJZZFXOBPOVCGF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid

1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 82401114) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid
PubChem CID82401114
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid
SMILESCn1cncc1C1(C(=O)O)CCCC1
InChIInChI=1S/C10H14N2O2/c1-12-7-11-6-8(12)10(9(13)14)4-2-3-5-10/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyJJZZFXOBPOVCGF-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid (CID 82401114) is 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid is Cn1cncc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is JJZZFXOBPOVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-7-11-6-8(12)10(9(13)14)4-2-3-5-10/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid?
1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82401114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).