Ethyl 3-(tert-butylamino)-3-oxopropanoate
TL;DR: Ethyl 3-(tert-butylamino)-3-oxopropanoate (CAS 21120-65-0) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(tert-butylamino)-3-oxopropanoate
Also Known As: ethyl N-t-butyl-malonamate, ethyl 3-(tert-butylamino)-3-oxopropanoate, ETHYL 2-(TERT-BUTYLCARBAMOYL)ACETATE, N-tert-Butylmalonamidic acid ethyl ester, J2.536.823A
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 21120-65-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC(C)(C)C |
| InChIKey | QADAZNVHNJFDTL-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(tert-butylamino)-3-oxopropanoate (CAS 21120-65-0), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: ethyl 3-(tert-butylamino)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(tert-butylamino)-3-oxopropanoate
Property Insights of Ethyl 3-(tert-butylamino)-3-oxopropanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(tert-butylamino)-3-oxopropanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-(tert-butylamino)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(tert-butylamino)-3-oxopropanoate 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)-3-oxopropanoate?
The CAS number of Ethyl 3-(tert-butylamino)-3-oxopropanoate is 21120-65-0.
What is the molecular formula of Ethyl 3-(tert-butylamino)-3-oxopropanoate?
The molecular formula of Ethyl 3-(tert-butylamino)-3-oxopropanoate is C9H17NO3.
What is the molecular weight of Ethyl 3-(tert-butylamino)-3-oxopropanoate?
The molecular weight of Ethyl 3-(tert-butylamino)-3-oxopropanoate is 187.12 g/mol.
Where can I buy Ethyl 3-(tert-butylamino)-3-oxopropanoate?
You can request a quote for Ethyl 3-(tert-butylamino)-3-oxopropanoate 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)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(tert-butylamino)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.