3-(cyclopentylmethylidene)pentanedioic acid

C11H16O4 — CID 57132240

IUPAC3-(cyclopentylmethylidene)pentanedioic acid
SMILESO=C(O)CC(=CC1CCCC1)CC(=O)O
InChIInChI=1S/C11H16O4/c12-10(13)6-9(7-11(14)15)5-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,12,13)(H,14,15)
InChIKeyBZBQNQDXHZSXIQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.05
Rot. Bonds5

About 3-(cyclopentylmethylidene)pentanedioic acid

3-(cyclopentylmethylidene)pentanedioic acid (PubChem CID 57132240) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(cyclopentylmethylidene)pentanedioic acid.

Molecular Properties

Compound Name3-(cyclopentylmethylidene)pentanedioic acid
PubChem CID57132240
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-(cyclopentylmethylidene)pentanedioic acid
SMILESO=C(O)CC(=CC1CCCC1)CC(=O)O
InChIInChI=1S/C11H16O4/c12-10(13)6-9(7-11(14)15)5-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,12,13)(H,14,15)
InChIKeyBZBQNQDXHZSXIQ-UHFFFAOYSA-N
XLogP2.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclopentylmethylidene)pentanedioic 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-(cyclopentylmethylidene)pentanedioic acid?
The IUPAC name of 3-(cyclopentylmethylidene)pentanedioic acid (CID 57132240) is 3-(cyclopentylmethylidene)pentanedioic acid.
What is the SMILES notation for 3-(cyclopentylmethylidene)pentanedioic acid?
The canonical SMILES for 3-(cyclopentylmethylidene)pentanedioic acid is O=C(O)CC(=CC1CCCC1)CC(=O)O.
What is the InChIKey of 3-(cyclopentylmethylidene)pentanedioic acid?
The InChIKey is BZBQNQDXHZSXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-10(13)6-9(7-11(14)15)5-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclopentylmethylidene)pentanedioic acid?
3-(cyclopentylmethylidene)pentanedioic acid has a molecular weight of 212.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylidene)pentanedioic acid is sourced from PubChem (CID 57132240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).