2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid

C10H14O3 — CID 122443590

IUPAC2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid
SMILESC=C1C(CC=O)CCC1CC(=O)O
InChIInChI=1S/C10H14O3/c1-7-8(4-5-11)2-3-9(7)6-10(12)13/h5,8-9H,1-4,6H2,(H,12,13)
InChIKeyIRRXPBPSFDKDHA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid

2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid (PubChem CID 122443590) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid
PubChem CID122443590
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid
SMILESC=C1C(CC=O)CCC1CC(=O)O
InChIInChI=1S/C10H14O3/c1-7-8(4-5-11)2-3-9(7)6-10(12)13/h5,8-9H,1-4,6H2,(H,12,13)
InChIKeyIRRXPBPSFDKDHA-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic 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 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid (CID 122443590) is 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid is C=C1C(CC=O)CCC1CC(=O)O.
What is the InChIKey of 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid?
The InChIKey is IRRXPBPSFDKDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-8(4-5-11)2-3-9(7)6-10(12)13/h5,8-9H,1-4,6H2,(H,12,13).
What are the key properties of 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid?
2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 122443590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).