1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 681461-47-2) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid, Maybridge1_007948, 1-(3-Nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid, 1-(3-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 1-(3-Nitrophenyl)-5-oxo-pyrrolidine-3-carboxylic acid
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.0323 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 527.9198 |
Chemical Identifiers
| CAS Number | 681461-47-2 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O |
Product Overview
1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 681461-47-2), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: 1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.0323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is 681461-47-2.
What is the molecular formula of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is C11H10N2O5.
What is the molecular weight of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid is 250.06 g/mol.
Where can I buy 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.