Ethyl 3-(tert-butylamino)propanoate
TL;DR: Ethyl 3-(tert-butylamino)propanoate (CAS 1462-98-2) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(tert-butylamino)propanoate
Also Known As: Ethyl 3-(tert-butylamino)propanoate, 3-(tert-Butylamino)propionic acid ethyl ester, N-(1,1-dimethylethyl)-, A-Alanine ethyl ester, .beta.-Alanine, N-(1,1-dimethylethyl)-, ethyl ester
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 1.3277 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 137.9542 |
Chemical Identifiers
| CAS Number | 1462-98-2 |
|---|---|
| SMILES | CCOC(=O)CCNC(C)(C)C |
Product Overview
Ethyl 3-(tert-butylamino)propanoate (CAS 1462-98-2), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: ethyl 3-(tert-butylamino)propanoate.
Chemical Property Profile of Ethyl 3-(tert-butylamino)propanoate
Property Insights of Ethyl 3-(tert-butylamino)propanoate
The XLogP value of 1.3277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(tert-butylamino)propanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 3-(tert-butylamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(tert-butylamino)propanoate 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 Ethyl 3-(tert-butylamino)propanoate?
The CAS number of Ethyl 3-(tert-butylamino)propanoate is 1462-98-2.
What is the molecular formula of Ethyl 3-(tert-butylamino)propanoate?
The molecular formula of Ethyl 3-(tert-butylamino)propanoate is C9H19NO2.
What is the molecular weight of Ethyl 3-(tert-butylamino)propanoate?
The molecular weight of Ethyl 3-(tert-butylamino)propanoate is 173.14 g/mol.
Where can I buy Ethyl 3-(tert-butylamino)propanoate?
You can request a quote for Ethyl 3-(tert-butylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(tert-butylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(tert-butylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.