Methyl N-(beta-methylcrotonyl)glycine
TL;DR: Methyl N-(beta-methylcrotonyl)glycine (CAS 56009-34-8) 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-(3-methylbut-2-enoylamino)acetate
Also Known As: Methyl N-(.beta.-methylcrotonyl)glycine, (3-Methylcrotonyl)glycine methyl ester, methyl 2-(3-methylbut-2-enoylamino)acetate, .beta.-Methylcrotonylglycine, methyl ester, Glycine, N-(3-methyl-1-oxo-2-butenyl)-, methyl ester
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.9 |
| 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 | 204.0 |
Chemical Identifiers
| CAS Number | 56009-34-8 |
|---|---|
| SMILES | CC(=CC(=O)NCC(=O)OC)C |
| InChIKey | HQJXTLHTVWAWPO-UHFFFAOYSA-N |
Product Overview
Methyl N-(beta-methylcrotonyl)glycine (CAS 56009-34-8), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: methyl 2-(3-methylbut-2-enoylamino)acetate.
Chemical Property Profile of Methyl N-(beta-methylcrotonyl)glycine
Property Insights of Methyl N-(beta-methylcrotonyl)glycine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(beta-methylcrotonyl)glycine. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl N-(beta-methylcrotonyl)glycine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(beta-methylcrotonyl)glycine 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 N-(beta-methylcrotonyl)glycine?
The CAS number of Methyl N-(beta-methylcrotonyl)glycine is 56009-34-8.
What is the molecular formula of Methyl N-(beta-methylcrotonyl)glycine?
The molecular formula of Methyl N-(beta-methylcrotonyl)glycine is C8H13NO3.
What is the molecular weight of Methyl N-(beta-methylcrotonyl)glycine?
The molecular weight of Methyl N-(beta-methylcrotonyl)glycine is 171.09 g/mol.
Where can I buy Methyl N-(beta-methylcrotonyl)glycine?
You can request a quote for Methyl N-(beta-methylcrotonyl)glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(beta-methylcrotonyl)glycine?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(beta-methylcrotonyl)glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.