Methyl 2-(3-phenylpropanoylamino)acetate
TL;DR: Methyl 2-(3-phenylpropanoylamino)acetate (CAS 21871-84-1) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-phenylpropanoylamino)acetate
Also Known As: methyl N-(3-phenylpropanoyl)glycinate, methyl 2-(3-phenylpropanoylamino)acetate, methyl 2-(3-phenylpropanamido)acetate, (3-Phenylpropionyl)glycine methyl ester, N-(3-Phenylpropionyl)glycine methyl ester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 0.9084 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 348.54132 |
Chemical Identifiers
| CAS Number | 21871-84-1 |
|---|---|
| SMILES | COC(=O)CNC(=O)CCC1=CC=CC=C1 |
Product Overview
Methyl 2-(3-phenylpropanoylamino)acetate (CAS 21871-84-1), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 2-(3-phenylpropanoylamino)acetate.
Chemical Property Profile of Methyl 2-(3-phenylpropanoylamino)acetate
Property Insights of Methyl 2-(3-phenylpropanoylamino)acetate
The XLogP value of 0.9084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-phenylpropanoylamino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(3-phenylpropanoylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-phenylpropanoylamino)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-(3-phenylpropanoylamino)acetate?
The CAS number of Methyl 2-(3-phenylpropanoylamino)acetate is 21871-84-1.
What is the molecular formula of Methyl 2-(3-phenylpropanoylamino)acetate?
The molecular formula of Methyl 2-(3-phenylpropanoylamino)acetate is C12H15NO3.
What is the molecular weight of Methyl 2-(3-phenylpropanoylamino)acetate?
The molecular weight of Methyl 2-(3-phenylpropanoylamino)acetate is 221.11 g/mol.
Where can I buy Methyl 2-(3-phenylpropanoylamino)acetate?
You can request a quote for Methyl 2-(3-phenylpropanoylamino)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-(3-phenylpropanoylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-phenylpropanoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.