Methyl 3-(phenylcarbamoylamino)propanoate
TL;DR: Methyl 3-(phenylcarbamoylamino)propanoate (CAS 99841-39-1) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(phenylcarbamoylamino)propanoate
Also Known As: Methyl 3-(phenylcarbamoylamino)propanoate, N-phenylcarbamoyl-beta-alanine methyl ester, methyl 3-[(phenylcarbamoyl)amino]propanoate, AB00044590-01
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.3712 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 351.5071 |
Chemical Identifiers
| CAS Number | 99841-39-1 |
|---|---|
| SMILES | COC(=O)CCNC(=O)NC1=CC=CC=C1 |
Product Overview
Methyl 3-(phenylcarbamoylamino)propanoate (CAS 99841-39-1), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: methyl 3-(phenylcarbamoylamino)propanoate.
Chemical Property Profile of Methyl 3-(phenylcarbamoylamino)propanoate
Property Insights of Methyl 3-(phenylcarbamoylamino)propanoate
The XLogP value of 1.3712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(phenylcarbamoylamino)propanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(phenylcarbamoylamino)propanoate. Following Lipinski's Rule of Five, Methyl 3-(phenylcarbamoylamino)propanoate 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 Methyl 3-(phenylcarbamoylamino)propanoate?
The CAS number of Methyl 3-(phenylcarbamoylamino)propanoate is 99841-39-1.
What is the molecular formula of Methyl 3-(phenylcarbamoylamino)propanoate?
The molecular formula of Methyl 3-(phenylcarbamoylamino)propanoate is C11H14N2O3.
What is the molecular weight of Methyl 3-(phenylcarbamoylamino)propanoate?
The molecular weight of Methyl 3-(phenylcarbamoylamino)propanoate is 222.10 g/mol.
Where can I buy Methyl 3-(phenylcarbamoylamino)propanoate?
You can request a quote for Methyl 3-(phenylcarbamoylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(phenylcarbamoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(phenylcarbamoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.