L-Alanine 1,1-dimethylethyl ester
TL;DR: L-Alanine 1,1-dimethylethyl ester (CAS 21691-50-9) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-aminopropanoate
Also Known As: tert-Butyl L-alaninate, tert-butyl (2S)-2-aminopropanoate, L-alanine tert-butyl ester, (S)-tert-Butyl 2-aminopropanoate, H-Ala-OtBu
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 21691-50-9 |
|---|---|
| SMILES | C[C@@H](C(=O)OC(C)(C)C)N |
| InChIKey | TZHVYFBSLOMRCU-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-Alanine 1,1-dimethylethyl ester (CAS 21691-50-9), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: tert-butyl (2S)-2-aminopropanoate.
Chemical Property Profile of L-Alanine 1,1-dimethylethyl ester
Property Insights of L-Alanine 1,1-dimethylethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Alanine 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, L-Alanine 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, L-Alanine 1,1-dimethylethyl ester 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 L-Alanine 1,1-dimethylethyl ester?
The CAS number of L-Alanine 1,1-dimethylethyl ester is 21691-50-9.
What is the molecular formula of L-Alanine 1,1-dimethylethyl ester?
The molecular formula of L-Alanine 1,1-dimethylethyl ester is C7H15NO2.
What is the molecular weight of L-Alanine 1,1-dimethylethyl ester?
The molecular weight of L-Alanine 1,1-dimethylethyl ester is 145.11 g/mol.
Where can I buy L-Alanine 1,1-dimethylethyl ester?
You can request a quote for L-Alanine 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Alanine 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.