1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester
TL;DR: 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester (CAS 76470-00-3) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
Also Known As: Methyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester, J1.206.621J, 2-(2-Oxopropyl)pyrrolidine-1-carboxylic acid methyl ester, RefChem:235225
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 1.1963 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 214.90535 |
Chemical Identifiers
| CAS Number | 76470-00-3 |
|---|---|
| SMILES | CC(=O)CC1CCCN1C(=O)OC |
Product Overview
1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester (CAS 76470-00-3), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: methyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester
Property Insights of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester
The XLogP value of 1.1963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester has 0 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 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester?
The CAS number of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester is 76470-00-3.
What is the molecular formula of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester?
The molecular formula of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester is C9H15NO3.
What is the molecular weight of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester?
The molecular weight of 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester is 185.11 g/mol.
Where can I buy 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester?
You can request a quote for 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidinecarboxylic acid, 2-(2-oxopropyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.