Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate
TL;DR: Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate (CAS 51115-68-5) is a chemical compound with molecular formula C13H25NO3 and molecular weight 243.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]acetate
Also Known As: EINECS 256-976-5, Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate, ethyl 2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]acetate, N-(2,3-dimethyl-2-isopropylbutanoyl)glycine ethyl ester, ethyl 2-[2,3-dimethyl-2-(propan-2-yl)butanamido]acetate
| Molecular Formula | C13H25NO3 |
|---|---|
| Molecular Weight | 243.18 g/mol |
| LogP | 1.984 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.18344 |
| Heavy Atoms | 17 |
| Complexity | 263.83813 |
Chemical Identifiers
| CAS Number | 51115-68-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C(C)(C(C)C)C(C)C |
Product Overview
Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate (CAS 51115-68-5), with molecular formula C13H25NO3 and molecular weight 243.18 g/mol. IUPAC: ethyl 2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]acetate.
Chemical Property Profile of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate
Property Insights of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate
The XLogP value of 1.984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate 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 N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate?
The CAS number of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate is 51115-68-5.
What is the molecular formula of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate?
The molecular formula of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate is C13H25NO3.
What is the molecular weight of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate?
The molecular weight of Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate is 243.18 g/mol.
Where can I buy Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate?
You can request a quote for Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(2,3-dimethyl-2-isopropyl-1-oxobutyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.