(2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049981-94-3) is a chemical compound with molecular formula C12H14INO2 and molecular weight 331.00693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(4-iodophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid, (2S,4R)-4-(4-iodobenzyl)proline, (2S,4R)-4-[(4-iodophenyl)methyl]pyrrolidine-2-carboxylic acid, (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylicacid, (2S,4R)-4-[(4-iodophenyl)methyl]-2-pyrrolidinecarboxylic acid
Technical Specifications
| Molecular Formula | C12H14INO2 |
| Molecular Weight | 331.00693 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.00693 Da |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC=C(C=C2)I |
| InChIKey | BMPUITLSTMSGDE-KOLCDFICSA-N |
Chemical Property Profile of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.3 Ų, (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid is 1049981-94-3.
What is the molecular formula of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid is C12H14INO2.
What is the molecular weight of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid is 331.00693 g/mol.
Where can I buy (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(4-Iodobenzyl)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-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-(4-Iodobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.