(S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
TL;DR: (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049743-40-9) is a chemical compound with molecular formula C12H15ClN2O4 and molecular weight 286.07202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: starbld0000439, (S)-alpha-(3-Nitro-benzyl)-proline-HCl, (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride, (S)-(3-nitrobenzyl)-proline-HCl, 1145AA
Technical Specifications
| Molecular Formula | C12H15ClN2O4 |
| Molecular Weight | 286.07202 g/mol |
| XLogP | 1.7659 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.07202 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | C1C[C@](NC1)(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O.Cl |
| InChIKey | RNZZQZAXELQJQT-YDALLXLXSA-N |
Chemical Property Profile of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
Property Insights of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
The XLogP value of 1.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. Following Lipinski's Rule of Five, (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 3 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 (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The CAS number of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1049743-40-9.
What is the molecular formula of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular formula of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C12H15ClN2O4.
What is the molecular weight of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular weight of (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 286.07202 g/mol.
Where can I buy (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
You can request a quote for (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for (S)-2-(3-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.