3-(3-ethylcyclopentyl)propanoic acid

C10H18O2 — CID 20849290

IUPAC3-(3-ethylcyclopentyl)propanoic acid
SMILESCCC1CCC(CCC(=O)O)C1
InChIInChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyWVRFSLWCFASCIS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.68
Rot. Bonds4

About 3-(3-ethylcyclopentyl)propanoic acid

3-(3-ethylcyclopentyl)propanoic acid (PubChem CID 20849290) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(3-ethylcyclopentyl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethylcyclopentyl)propanoic acid
PubChem CID20849290
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(3-ethylcyclopentyl)propanoic acid
SMILESCCC1CCC(CCC(=O)O)C1
InChIInChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyWVRFSLWCFASCIS-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclopentyl)propanoic acid?
The IUPAC name of 3-(3-ethylcyclopentyl)propanoic acid (CID 20849290) is 3-(3-ethylcyclopentyl)propanoic acid.
What is the SMILES notation for 3-(3-ethylcyclopentyl)propanoic acid?
The canonical SMILES for 3-(3-ethylcyclopentyl)propanoic acid is CCC1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-(3-ethylcyclopentyl)propanoic acid?
The InChIKey is WVRFSLWCFASCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(3-ethylcyclopentyl)propanoic acid?
3-(3-ethylcyclopentyl)propanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclopentyl)propanoic acid is sourced from PubChem (CID 20849290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).