3-Methylcrotonylglycine
TL;DR: 3-Methylcrotonylglycine (CAS 3785-25-9) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbut-2-enoylamino)acetic acid
Also Known As: 3-Methylcrotonylglycine, 3-Methylcrotonyl Glycine, 2-(3-methylbut-2-enamido)acetic acid, beta-Methylcrotonylglycine, 2-(3-methylbut-2-enoylamino)acetic acid
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 3785-25-9 |
|---|---|
| SMILES | CC(=CC(=O)NCC(=O)O)C |
| InChIKey | PFWQSHXPNKRLIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylcrotonylglycine (CAS 3785-25-9), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: 2-(3-methylbut-2-enoylamino)acetic acid.
Chemical Property Profile of 3-Methylcrotonylglycine
Property Insights of 3-Methylcrotonylglycine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcrotonylglycine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylcrotonylglycine. Following Lipinski's Rule of Five, 3-Methylcrotonylglycine has 2 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 3-Methylcrotonylglycine?
The CAS number of 3-Methylcrotonylglycine is 3785-25-9.
What is the molecular formula of 3-Methylcrotonylglycine?
The molecular formula of 3-Methylcrotonylglycine is C7H11NO3.
What is the molecular weight of 3-Methylcrotonylglycine?
The molecular weight of 3-Methylcrotonylglycine is 157.07 g/mol.
Where can I buy 3-Methylcrotonylglycine?
You can request a quote for 3-Methylcrotonylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcrotonylglycine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcrotonylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.