TL;DR: (R)-tert-Butyl 3-amino-4-phenylbutanoate (CAS 166023-31-0) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3R)-3-amino-4-phenylbutanoate
Also Known As: (R)-tert-Butyl 3-amino-4-phenylbutanoate, tert-butyl (3R)-3-amino-4-phenylbutanoate, tert-Butyl (3R)-3-amino-4-phenyl-butanoate, 1,1-Dimethylethyl (3R)-3-amino-4-phenylbutanoate, 8441AA
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
| SMILES | CC(C)(C)OC(=O)C[C@@H](CC1=CC=CC=C1)N |
| InChIKey | ZIJHIHDFXCNFAA-GFCCVEGCSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-tert-Butyl 3-amino-4-phenylbutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, (R)-tert-Butyl 3-amino-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-tert-Butyl 3-amino-4-phenylbutanoate 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 (R)-tert-Butyl 3-amino-4-phenylbutanoate is 166023-31-0.
The molecular formula of (R)-tert-Butyl 3-amino-4-phenylbutanoate is C14H21NO2.
The molecular weight of (R)-tert-Butyl 3-amino-4-phenylbutanoate is 235.15723 g/mol.
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