(S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
TL;DR: (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate (CAS 55446-81-6) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
Also Known As: benzyloxycarbonyl proline ethylamide, Benzyloxycarbonylproline Ethylamide, N-BENZYLOXYCARBONYL-N'-ETHYL-L-PROLINAMIDE, J3.782.565D, (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 55446-81-6 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2 |
| InChIKey | ZLWMCCBMPOWJAY-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate (CAS 55446-81-6), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: benzyl (2S)-2-(ethylcarbamoyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
Property Insights of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate 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 (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
The CAS number of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate is 55446-81-6.
What is the molecular formula of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
The molecular formula of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate is C15H20N2O3.
What is the molecular weight of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
The molecular weight of (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate is 276.15 g/mol.
Where can I buy (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
You can request a quote for (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Benzyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.