tert-Butyl L-valinate
TL;DR: tert-Butyl L-valinate (CAS 13211-31-9) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-2-amino-3-methylbutanoate
Also Known As: tert-Butyl L-valinate, h-val-otbu, tert-butyl valinate, H-Val-OBut, H-Val-Obzl .Tos
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H19NO2 |
| Molecular Weight | 173.14159 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.14159 Da |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
| SMILES | CC(C)[C@@H](C(=O)OC(C)(C)C)N |
| InChIKey | RJBVJBGFJIHJSZ-ZETCQYMHSA-N |
Chemical Property Profile of tert-Butyl L-valinate
Property Insights of tert-Butyl L-valinate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl L-valinate. With a topological polar surface area (TPSA) of 52.3 Ų, tert-Butyl L-valinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl L-valinate 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 tert-Butyl L-valinate?
The CAS number of tert-Butyl L-valinate is 13211-31-9.
What is the molecular formula of tert-Butyl L-valinate?
The molecular formula of tert-Butyl L-valinate is C9H19NO2.
What is the molecular weight of tert-Butyl L-valinate?
The molecular weight of tert-Butyl L-valinate is 173.14159 g/mol.
Where can I buy tert-Butyl L-valinate?
You can request a quote for tert-Butyl L-valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl L-valinate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.