(2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049978-67-7) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid, (4R)-4-[(2-Nitrophenyl)methyl]-L-proline, (2S,4R)-4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid, (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylicacid, (2S,4S)-4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic Acid
Technical Specifications
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.09535 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | OETHXWXQNOKWOM-SCZZXKLOSA-N |
Chemical Property Profile of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of -0.7 indicates that (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid is 1049978-67-7.
What is the molecular formula of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid is C12H14N2O4.
What is the molecular weight of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid is 250.09535 g/mol.
Where can I buy (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.