Isobutyrylglycine, methyl ester
TL;DR: Isobutyrylglycine, methyl ester (CAS 62086-65-1) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylpropanoylamino)acetate
Also Known As: Isobutyrylglycine, methyl ester, methyl 2-isobutyramidoacetate, isobutyrylglycine methyl ester, N-Isobutyrylglycine methyl ester, methyl 2-(2-methylpropanoylamino)acetate
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | -0.0684 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 153.76468 |
Chemical Identifiers
| CAS Number | 62086-65-1 |
|---|---|
| SMILES | CC(C)C(=O)NCC(=O)OC |
Product Overview
Isobutyrylglycine, methyl ester (CAS 62086-65-1), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: methyl 2-(2-methylpropanoylamino)acetate.
Chemical Property Profile of Isobutyrylglycine, methyl ester
Property Insights of Isobutyrylglycine, methyl ester
The XLogP value of -0.0684 indicates that Isobutyrylglycine, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, Isobutyrylglycine, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyrylglycine, methyl 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 Isobutyrylglycine, methyl ester?
The CAS number of Isobutyrylglycine, methyl ester is 62086-65-1.
What is the molecular formula of Isobutyrylglycine, methyl ester?
The molecular formula of Isobutyrylglycine, methyl ester is C7H13NO3.
What is the molecular weight of Isobutyrylglycine, methyl ester?
The molecular weight of Isobutyrylglycine, methyl ester is 159.09 g/mol.
Where can I buy Isobutyrylglycine, methyl ester?
You can request a quote for Isobutyrylglycine, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyrylglycine, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isobutyrylglycine, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.