(2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049980-33-7) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid, (2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid, (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylicacid, (2S,4S)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic Acid
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 474.90015 |
Chemical Identifiers
| CAS Number | 1049980-33-7 |
|---|---|
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049980-33-7), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: (2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid has 2 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 (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid is 1049980-33-7.
What is the molecular formula of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid is C12H14N2O4.
What is the molecular weight of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid is 250.10 g/mol.
Where can I buy (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-4-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.