3-Methyl-2-(octanoylamino)butanoic acid
TL;DR: 3-Methyl-2-(octanoylamino)butanoic acid (CAS 133849-27-1) is a chemical compound with molecular formula C13H25NO3 and molecular weight 243.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-(octanoylamino)butanoic acid
Also Known As: VALINE, N-(1-OXOOCTYL)-, 3-methyl-2-(octanoylamino)butanoic Acid
Technical Specifications
| Molecular Formula | C13H25NO3 |
| Molecular Weight | 243.18344 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 243.18344 Da |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
| SMILES | CCCCCCCC(=O)NC(C(C)C)C(=O)O |
| InChIKey | SZUMGHGZFKDFPU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-2-(octanoylamino)butanoic acid
Property Insights of 3-Methyl-2-(octanoylamino)butanoic acid
The XLogP value of 3.5 indicates that 3-Methyl-2-(octanoylamino)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-(octanoylamino)butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-(octanoylamino)butanoic 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-Methyl-2-(octanoylamino)butanoic acid?
The CAS number of 3-Methyl-2-(octanoylamino)butanoic acid is 133849-27-1.
What is the molecular formula of 3-Methyl-2-(octanoylamino)butanoic acid?
The molecular formula of 3-Methyl-2-(octanoylamino)butanoic acid is C13H25NO3.
What is the molecular weight of 3-Methyl-2-(octanoylamino)butanoic acid?
The molecular weight of 3-Methyl-2-(octanoylamino)butanoic acid is 243.18344 g/mol.
Where can I buy 3-Methyl-2-(octanoylamino)butanoic acid?
You can request a quote for 3-Methyl-2-(octanoylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-2-(octanoylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-2-(octanoylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.