Tert-butyl 3-methyl-2-methylamino-butanoate
TL;DR: Tert-butyl 3-methyl-2-methylamino-butanoate (CAS 5616-87-5) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-methyl-2-(methylamino)butanoate
Also Known As: tert-Butyl N-methylvalinate, NCIOpen2_005336, tert-butyl 3-methyl-2-(methylamino)butanoate, TERT-BUTYL 3-METHYL-2-METHYLAMINO-BUTANOATE, tert-butyl (2S)-3-methyl-2-(methylamino)butanoate
| Molecular Formula | C10H21NO2 |
|---|---|
| Molecular Weight | 187.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.15723 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 5616-87-5 |
|---|---|
| SMILES | CC(C)C(C(=O)OC(C)(C)C)NC |
| InChIKey | GQQBJNNCJGGHJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 3-methyl-2-methylamino-butanoate (CAS 5616-87-5), with molecular formula C10H21NO2 and molecular weight 187.16 g/mol. IUPAC: tert-butyl 3-methyl-2-(methylamino)butanoate.
Chemical Property Profile of Tert-butyl 3-methyl-2-methylamino-butanoate
Property Insights of Tert-butyl 3-methyl-2-methylamino-butanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-methyl-2-methylamino-butanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Tert-butyl 3-methyl-2-methylamino-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-methyl-2-methylamino-butanoate 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
Frequently Asked Questions
What is the CAS number of Tert-butyl 3-methyl-2-methylamino-butanoate?
The CAS number of Tert-butyl 3-methyl-2-methylamino-butanoate is 5616-87-5.
What is the molecular formula of Tert-butyl 3-methyl-2-methylamino-butanoate?
The molecular formula of Tert-butyl 3-methyl-2-methylamino-butanoate is C10H21NO2.
What is the molecular weight of Tert-butyl 3-methyl-2-methylamino-butanoate?
The molecular weight of Tert-butyl 3-methyl-2-methylamino-butanoate is 187.16 g/mol.
Where can I buy Tert-butyl 3-methyl-2-methylamino-butanoate?
You can request a quote for Tert-butyl 3-methyl-2-methylamino-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-methyl-2-methylamino-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-methyl-2-methylamino-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.