1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
TL;DR: 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester (CAS 87223-77-6) 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.
tert-butyl 2-oxopyrrolidine-1-carboxylate
Also Known As: tert-butyl 2-oxopyrrolidine-1-carboxylate, 1-(tert-Butoxycarbonyl)-2-pyrrolidinone, N-Boc-2-pyrrolidinone, N-boc-pyrrolidone, 1-BOC-2-Pyrrolidinone
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 87223-77-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1=O |
| InChIKey | GJJYYMXBCYYXPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester (CAS 87223-77-6), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: tert-butyl 2-oxopyrrolidine-1-carboxylate.
Chemical Property Profile of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
Property Insights of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl 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-oxo-, 1,1-dimethylethyl ester?
The CAS number of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester is 87223-77-6.
What is the molecular formula of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester?
The molecular formula of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester is C9H15NO3.
What is the molecular weight of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester?
The molecular weight of 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester is 185.11 g/mol.
Where can I buy 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester?
You can request a quote for 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl 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-oxo-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.