1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate
TL;DR: 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate (CAS 80953-62-4) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Also Known As: Z-D-PYR-OH, Z-PYR-OH, CBZ-L-Pyroglu-OH, Cbz-DL-Pyr-OH, Z-L-pyroglutamic acid
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 80953-62-4 |
|---|---|
| SMILES | C1CC(=O)N(C1C(=O)O)C(=O)OCC2=CC=CC=C2 |
| InChIKey | VHSFUGXCSGOKJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate (CAS 80953-62-4), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: 5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate
Property Insights of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate. Following Lipinski's Rule of Five, 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate has 1 hydrogen bond donor(s) and 5 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-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate?
The CAS number of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate is 80953-62-4.
What is the molecular formula of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate?
The molecular formula of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate is C13H13NO5.
What is the molecular weight of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate?
The molecular weight of 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate is 263.08 g/mol.
Where can I buy 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate?
You can request a quote for 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.