Methyl 2-(2-methylbut-2-enoylamino)acetate
TL;DR: Methyl 2-(2-methylbut-2-enoylamino)acetate (CAS 55649-53-1) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylbut-2-enoylamino)acetate
Also Known As: Tiglyl Glycine Methyl Ester
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 55649-53-1 |
|---|---|
| SMILES | CC=C(C)C(=O)NCC(=O)OC |
| InChIKey | IFMXGUOYXDBGDS-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-methylbut-2-enoylamino)acetate (CAS 55649-53-1), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: methyl 2-(2-methylbut-2-enoylamino)acetate.
Chemical Property Profile of Methyl 2-(2-methylbut-2-enoylamino)acetate
Property Insights of Methyl 2-(2-methylbut-2-enoylamino)acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methylbut-2-enoylamino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(2-methylbut-2-enoylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-methylbut-2-enoylamino)acetate 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 Methyl 2-(2-methylbut-2-enoylamino)acetate?
The CAS number of Methyl 2-(2-methylbut-2-enoylamino)acetate is 55649-53-1.
What is the molecular formula of Methyl 2-(2-methylbut-2-enoylamino)acetate?
The molecular formula of Methyl 2-(2-methylbut-2-enoylamino)acetate is C8H13NO3.
What is the molecular weight of Methyl 2-(2-methylbut-2-enoylamino)acetate?
The molecular weight of Methyl 2-(2-methylbut-2-enoylamino)acetate is 171.09 g/mol.
Where can I buy Methyl 2-(2-methylbut-2-enoylamino)acetate?
You can request a quote for Methyl 2-(2-methylbut-2-enoylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-methylbut-2-enoylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-methylbut-2-enoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.