Glycine tert-butyl ester
TL;DR: Glycine tert-butyl ester (CAS 64560-12-9) 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.
tert-butyl 2-aminoacetate
Also Known As: tert-Butyl 2-aminoacetate, tert-Butyl glycinate, Glycine tert-butyl ester, t-Butyl glycinate, H-Gly-OtBu
| 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 | 104.0 |
Chemical Identifiers
| CAS Number | 64560-12-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN |
| InChIKey | SJMDMGHPMLKLHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glycine tert-butyl ester (CAS 64560-12-9), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: tert-butyl 2-aminoacetate.
Chemical Property Profile of Glycine tert-butyl ester
Property Insights of Glycine tert-butyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine tert-butyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Glycine tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glycine tert-butyl 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 Glycine tert-butyl ester?
The CAS number of Glycine tert-butyl ester is 64560-12-9.
What is the molecular formula of Glycine tert-butyl ester?
The molecular formula of Glycine tert-butyl ester is C6H13NO2.
What is the molecular weight of Glycine tert-butyl ester?
The molecular weight of Glycine tert-butyl ester is 131.09 g/mol.
Where can I buy Glycine tert-butyl ester?
You can request a quote for Glycine tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glycine tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.