Methyl 2-carbamoyl-3-phenylpropionate
TL;DR: Methyl 2-carbamoyl-3-phenylpropionate (CAS 57355-27-8) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-2-benzyl-3-oxopropanoate
Also Known As: Methyl 2-benzylmalonamate, Methyl 2-carbamoyl-3-phenylpropionate, methyl 3-amino-2-benzyl-3-oxopropanoate, Benzylmalonic acid methyl ester monoamide, 2-Benzyl-3-methoxy-3-oxopropanimidic acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 57355-27-8 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)C(=O)N |
| InChIKey | MBGQTVLDUWAMMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-carbamoyl-3-phenylpropionate (CAS 57355-27-8), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: methyl 3-amino-2-benzyl-3-oxopropanoate.
Chemical Property Profile of Methyl 2-carbamoyl-3-phenylpropionate
Property Insights of Methyl 2-carbamoyl-3-phenylpropionate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-carbamoyl-3-phenylpropionate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-carbamoyl-3-phenylpropionate. Following Lipinski's Rule of Five, Methyl 2-carbamoyl-3-phenylpropionate 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-carbamoyl-3-phenylpropionate?
The CAS number of Methyl 2-carbamoyl-3-phenylpropionate is 57355-27-8.
What is the molecular formula of Methyl 2-carbamoyl-3-phenylpropionate?
The molecular formula of Methyl 2-carbamoyl-3-phenylpropionate is C11H13NO3.
What is the molecular weight of Methyl 2-carbamoyl-3-phenylpropionate?
The molecular weight of Methyl 2-carbamoyl-3-phenylpropionate is 207.09 g/mol.
Where can I buy Methyl 2-carbamoyl-3-phenylpropionate?
You can request a quote for Methyl 2-carbamoyl-3-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-carbamoyl-3-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-carbamoyl-3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.