3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid

C14H19NO2 — CID 79428964

IUPAC3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(Cc2ccccn2)(C(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-2-11-6-7-14(9-11,13(16)17)10-12-5-3-4-8-15-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,16,17)
InChIKeyLWOVFAFXYLQLOJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.91
Rot. Bonds4

About 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid

3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 79428964) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID79428964
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(Cc2ccccn2)(C(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-2-11-6-7-14(9-11,13(16)17)10-12-5-3-4-8-15-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,16,17)
InChIKeyLWOVFAFXYLQLOJ-UHFFFAOYSA-N
XLogP2.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid (CID 79428964) is 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid is CCC1CCC(Cc2ccccn2)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is LWOVFAFXYLQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-6-7-14(9-11,13(16)17)10-12-5-3-4-8-15-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid?
3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79428964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).