Methyl 3-aminobut-2-enoate
TL;DR: Methyl 3-aminobut-2-enoate (CAS 14205-39-1) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-aminobut-2-enoate
Also Known As: Methyl 3-aminocrotonate, methyl 3-aminobut-2-enoate, Nifedipine EP Impurity D, Methyl3-aminocrotonate, Methyl 3-amino-2-butenoate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.06333 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 Da |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
| SMILES | CC(=CC(=O)OC)N |
| InChIKey | XKORCTIIRYKLLG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-aminobut-2-enoate
Property Insights of Methyl 3-aminobut-2-enoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-aminobut-2-enoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-aminobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-aminobut-2-enoate 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
What is the CAS number of Methyl 3-aminobut-2-enoate?
The CAS number of Methyl 3-aminobut-2-enoate is 14205-39-1.
What is the molecular formula of Methyl 3-aminobut-2-enoate?
The molecular formula of Methyl 3-aminobut-2-enoate is C5H9NO2.
What is the molecular weight of Methyl 3-aminobut-2-enoate?
The molecular weight of Methyl 3-aminobut-2-enoate is 115.06333 g/mol.
Where can I buy Methyl 3-aminobut-2-enoate?
You can request a quote for Methyl 3-aminobut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-aminobut-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-aminobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.