3-cyclopentyl-3-hydroxypent-4-enoic acid

C10H16O3 — CID 46835646

IUPAC3-cyclopentyl-3-hydroxypent-4-enoic acid
SMILESC=CC(O)(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H16O3/c1-2-10(13,7-9(11)12)8-5-3-4-6-8/h2,8,13H,1,3-7H2,(H,11,12)
InChIKeyFWCDUHQGYRQKEB-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds4

About 3-cyclopentyl-3-hydroxypent-4-enoic acid

3-cyclopentyl-3-hydroxypent-4-enoic acid (PubChem CID 46835646) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-cyclopentyl-3-hydroxypent-4-enoic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-hydroxypent-4-enoic acid
PubChem CID46835646
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-cyclopentyl-3-hydroxypent-4-enoic acid
SMILESC=CC(O)(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H16O3/c1-2-10(13,7-9(11)12)8-5-3-4-6-8/h2,8,13H,1,3-7H2,(H,11,12)
InChIKeyFWCDUHQGYRQKEB-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-3-hydroxypent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-hydroxypent-4-enoic acid?
The IUPAC name of 3-cyclopentyl-3-hydroxypent-4-enoic acid (CID 46835646) is 3-cyclopentyl-3-hydroxypent-4-enoic acid.
What is the SMILES notation for 3-cyclopentyl-3-hydroxypent-4-enoic acid?
The canonical SMILES for 3-cyclopentyl-3-hydroxypent-4-enoic acid is C=CC(O)(CC(=O)O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-hydroxypent-4-enoic acid?
The InChIKey is FWCDUHQGYRQKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-10(13,7-9(11)12)8-5-3-4-6-8/h2,8,13H,1,3-7H2,(H,11,12).
What are the key properties of 3-cyclopentyl-3-hydroxypent-4-enoic acid?
3-cyclopentyl-3-hydroxypent-4-enoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-hydroxypent-4-enoic acid is sourced from PubChem (CID 46835646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).