3-(Aminomethyl)-5-methylhexanoic acid
TL;DR: 3-(Aminomethyl)-5-methylhexanoic acid (CAS 1189980-48-0) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(aminomethyl)-5-methylhexanoic acid
Also Known As: Pregabalin, 3-(aminomethyl)-5-methylhexanoic acid, rac-Pregabalin, (+/-)-Pregabalin, Lyrica
Technical Specifications
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.12593 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 Da |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| SMILES | CC(C)CC(CC(=O)O)CN |
| InChIKey | AYXYPKUFHZROOJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Aminomethyl)-5-methylhexanoic acid
Property Insights of 3-(Aminomethyl)-5-methylhexanoic acid
The XLogP value of -1.6 indicates that 3-(Aminomethyl)-5-methylhexanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminomethyl)-5-methylhexanoic acid. Following Lipinski's Rule of Five, 3-(Aminomethyl)-5-methylhexanoic 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 3-(Aminomethyl)-5-methylhexanoic acid?
The CAS number of 3-(Aminomethyl)-5-methylhexanoic acid is 1189980-48-0.
What is the molecular formula of 3-(Aminomethyl)-5-methylhexanoic acid?
The molecular formula of 3-(Aminomethyl)-5-methylhexanoic acid is C8H17NO2.
What is the molecular weight of 3-(Aminomethyl)-5-methylhexanoic acid?
The molecular weight of 3-(Aminomethyl)-5-methylhexanoic acid is 159.12593 g/mol.
Where can I buy 3-(Aminomethyl)-5-methylhexanoic acid?
You can request a quote for 3-(Aminomethyl)-5-methylhexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Aminomethyl)-5-methylhexanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Aminomethyl)-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.