rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid
TL;DR: rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid (CAS 1368298-84-3) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid
Also Known As: rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.13683 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.13683 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | C1[C@H]([C@@H](CN1CC2=CC=CC=C2)C(=O)O)CN |
| InChIKey | VGABOWPFEONMQT-VXGBXAGGSA-N |
Chemical Property Profile of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid
Property Insights of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid
The XLogP value of -1.9 indicates that rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-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
What is the CAS number of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid?
The CAS number of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid is 1368298-84-3.
What is the molecular formula of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid?
The molecular formula of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid is C13H18N2O2.
What is the molecular weight of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid?
The molecular weight of rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid is 234.13683 g/mol.
Where can I buy rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid?
You can request a quote for rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for rac-(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.