3-cyclopentylpropanoic acid

C8H14O2 — CID 8818

IUPAC3-cyclopentylpropanoic acid
SMILESO=C(O)CCC1CCCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKeyZRPLANDPDWYOMZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.04
Rot. Bonds3

About 3-cyclopentylpropanoic acid

3-cyclopentylpropanoic acid (PubChem CID 8818) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-cyclopentylpropanoic acid.

Molecular Properties

Compound Name3-cyclopentylpropanoic acid
PubChem CID8818
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-cyclopentylpropanoic acid
SMILESO=C(O)CCC1CCCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKeyZRPLANDPDWYOMZ-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropanoic acid?
The IUPAC name of 3-cyclopentylpropanoic acid (CID 8818) is 3-cyclopentylpropanoic acid.
What is the SMILES notation for 3-cyclopentylpropanoic acid?
The canonical SMILES for 3-cyclopentylpropanoic acid is O=C(O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentylpropanoic acid?
The InChIKey is ZRPLANDPDWYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10).
What are the key properties of 3-cyclopentylpropanoic acid?
3-cyclopentylpropanoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropanoic acid is sourced from PubChem (CID 8818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).