Tert-butyl 3-aminobut-2-enoate
TL;DR: Tert-butyl 3-aminobut-2-enoate (CAS 14205-43-7) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-aminobut-2-enoate
Also Known As: tert-butyl 3-aminobut-2-enoate, t-butyl 3-amino-2-butenoate, 3-Amino-2-butenoic acid tert-butyl ester, Crotonic acid, 3-amino-, tert-butyl ester, 2-Butenoic acid, 3-amino-, 1,1-dimethylethyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.11028 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.11028 Da |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
| SMILES | CC(=CC(=O)OC(C)(C)C)N |
| InChIKey | FDCJOQNCHBIAOV-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 3-aminobut-2-enoate
Property Insights of Tert-butyl 3-aminobut-2-enoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-aminobut-2-enoate. With a topological polar surface area (TPSA) of 52.3 Ų, Tert-butyl 3-aminobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 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 Tert-butyl 3-aminobut-2-enoate?
The CAS number of Tert-butyl 3-aminobut-2-enoate is 14205-43-7.
What is the molecular formula of Tert-butyl 3-aminobut-2-enoate?
The molecular formula of Tert-butyl 3-aminobut-2-enoate is C8H15NO2.
What is the molecular weight of Tert-butyl 3-aminobut-2-enoate?
The molecular weight of Tert-butyl 3-aminobut-2-enoate is 157.11028 g/mol.
Where can I buy Tert-butyl 3-aminobut-2-enoate?
You can request a quote for Tert-butyl 3-aminobut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 3-aminobut-2-enoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 3-aminobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.