Cyclopentanecarboxylic acid, 1-methylethyl ester
TL;DR: Cyclopentanecarboxylic acid, 1-methylethyl ester (CAS 99065-31-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1-aminocyclopentane-1-carboxylate
Also Known As: propan-2-yl 1-aminocyclopentane-1-carboxylate, 1-Methylethyl 1-aminocyclopentanecarboxylate, Cyclopentanecarboxylic acid, 1-methylethyl ester, Cyclopentanecarboxylic acid, isopropyl ester, Cyclopentanecarboxylic acid, 1-amino-, isopropyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 99065-31-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1(CCCC1)N |
| InChIKey | QPNLQTFYVCBFAK-UHFFFAOYSA-N |
Product Overview
Cyclopentanecarboxylic acid, 1-methylethyl ester (CAS 99065-31-3), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: propan-2-yl 1-aminocyclopentane-1-carboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 1-methylethyl ester
Property Insights of Cyclopentanecarboxylic acid, 1-methylethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanecarboxylic acid, 1-methylethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Cyclopentanecarboxylic acid, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 1-methylethyl ester has 1 hydrogen bond donor(s) and 3 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 Cyclopentanecarboxylic acid, 1-methylethyl ester?
The CAS number of Cyclopentanecarboxylic acid, 1-methylethyl ester is 99065-31-3.
What is the molecular formula of Cyclopentanecarboxylic acid, 1-methylethyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 1-methylethyl ester is C9H17NO2.
What is the molecular weight of Cyclopentanecarboxylic acid, 1-methylethyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 1-methylethyl ester is 171.13 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 1-methylethyl ester?
You can request a quote for Cyclopentanecarboxylic acid, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarboxylic acid, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.