2-甲基丙氨酸乙酯
TL;DR: 2-甲基丙氨酸乙酯 (CAS 1113-49-1) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丙氨酸乙酯
ethyl 2-amino-2-methylpropanoate
Also Known As: ethyl 2-amino-2-methylpropanoate, Ethyl 2-methylalaninate, ethyl aminoisobutyrate, ethyl 2-aminoisobutyrate, 2-methylalanine ethyl ester
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 1113-49-1 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)N |
| InChIKey | DWLJKCGOCUODFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丙氨酸乙酯 (CAS 1113-49-1), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: ethyl 2-amino-2-methylpropanoate.
Chemical Property Profile of 2-甲基丙氨酸乙酯
Property Insights of 2-甲基丙氨酸乙酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丙氨酸乙酯. With a topological polar surface area (TPSA) of 52.3 Ų, 2-甲基丙氨酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丙氨酸乙酯 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 2-甲基丙氨酸乙酯?
The CAS number of 2-甲基丙氨酸乙酯 is 1113-49-1.
What is the molecular formula of 2-甲基丙氨酸乙酯?
The molecular formula of 2-甲基丙氨酸乙酯 is C6H13NO2.
What is the molecular weight of 2-甲基丙氨酸乙酯?
The molecular weight of 2-甲基丙氨酸乙酯 is 131.09 g/mol.
Where can I buy 2-甲基丙氨酸乙酯?
You can request a quote for 2-甲基丙氨酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丙氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丙氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.