1,1-Cyclopentanediacetic acid
TL;DR: 1,1-Cyclopentanediacetic acid (CAS 16713-66-9) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(carboxymethyl)cyclopentyl]acetic acid
Also Known As: 1,1-Cyclopentanediacetic acid, 3,3-Tetramethyleneglutaric acid, Cyclopentane-1,1-diacetic acid, Tetramethylene glutaric acid, Cyclopentanediacetic acid
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 16713-66-9 |
|---|---|
| SMILES | C1CCC(C1)(CC(=O)O)CC(=O)O |
| InChIKey | FWPVKDFOUXHOKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Cyclopentanediacetic acid (CAS 16713-66-9), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 2-[1-(carboxymethyl)cyclopentyl]acetic acid.
Chemical Property Profile of 1,1-Cyclopentanediacetic acid
Property Insights of 1,1-Cyclopentanediacetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Cyclopentanediacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Cyclopentanediacetic acid. Following Lipinski's Rule of Five, 1,1-Cyclopentanediacetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Cyclopentanediacetic acid?
The CAS number of 1,1-Cyclopentanediacetic acid is 16713-66-9.
What is the molecular formula of 1,1-Cyclopentanediacetic acid?
The molecular formula of 1,1-Cyclopentanediacetic acid is C9H14O4.
What is the molecular weight of 1,1-Cyclopentanediacetic acid?
The molecular weight of 1,1-Cyclopentanediacetic acid is 186.09 g/mol.
Where can I buy 1,1-Cyclopentanediacetic acid?
You can request a quote for 1,1-Cyclopentanediacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Cyclopentanediacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Cyclopentanediacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.