Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
TL;DR: Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate (CAS 105-71-5) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate
Also Known As: Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate, Domperidone Impurity 24, methyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoate, CH3N(CH2CH2CO2CH3)2, dimethyl 3,3'-(methylazanediyl)dipropanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17NO4 |
| Molecular Weight | 203.11575 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 203.11575 Da |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
| SMILES | CN(CCC(=O)OC)CCC(=O)OC |
| InChIKey | TYINRDVTTNNFKL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
Property Insights of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
The XLogP value of -0.1 indicates that Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate?
The CAS number of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate is 105-71-5.
What is the molecular formula of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate?
The molecular formula of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate is C9H17NO4.
What is the molecular weight of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate?
The molecular weight of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate is 203.11575 g/mol.
Where can I buy Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate?
You can request a quote for Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate?
Yes, CoreyChem provides custom synthesis services for Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.