TL;DR: Ethyl 3-amino-2,2,3-trimethylbutanoate (CAS 1023800-81-8) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-amino-2,2,3-trimethylbutanoate
Also Known As: ethyl 3-amino-2,2,3-trimethylbutanoate, Ethyl 3-amino-2,2,3-trimethyl-butanoate
| Molecular Formula | C9H19NO2 |
| Molecular Weight | 173.14159 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.14159 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | CCOC(=O)C(C)(C)C(C)(C)N |
| InChIKey | GIRDLESINQIGTR-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-2,2,3-trimethylbutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-amino-2,2,3-trimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-2,2,3-trimethylbutanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 3-amino-2,2,3-trimethylbutanoate is 1023800-81-8.
The molecular formula of Ethyl 3-amino-2,2,3-trimethylbutanoate is C9H19NO2.
The molecular weight of Ethyl 3-amino-2,2,3-trimethylbutanoate is 173.14159 g/mol.
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