Methyl 2-amino-2-methylbutanoate
TL;DR: Methyl 2-amino-2-methylbutanoate (CAS 118725-00-1) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-2-methylbutanoate
Also Known As: methyl 2-amino-2-methylbutanoate, methyl isovalinate, Methyl 2-amino-2-methyl-butanoate, Isovaline, methyl ester (9CI), methyl 2-amino-2-methylbutyrate
Technical Specifications
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.09464 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.09464 Da |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| SMILES | CCC(C)(C(=O)OC)N |
| InChIKey | LYSVZYUJIMIKEB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-amino-2-methylbutanoate
Property Insights of Methyl 2-amino-2-methylbutanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-2-methylbutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 2-amino-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-amino-2-methylbutanoate has 1 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 Methyl 2-amino-2-methylbutanoate?
The CAS number of Methyl 2-amino-2-methylbutanoate is 118725-00-1.
What is the molecular formula of Methyl 2-amino-2-methylbutanoate?
The molecular formula of Methyl 2-amino-2-methylbutanoate is C6H13NO2.
What is the molecular weight of Methyl 2-amino-2-methylbutanoate?
The molecular weight of Methyl 2-amino-2-methylbutanoate is 131.09464 g/mol.
Where can I buy Methyl 2-amino-2-methylbutanoate?
You can request a quote for Methyl 2-amino-2-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-amino-2-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-amino-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.