TL;DR: tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate (CAS 142618-92-6) is a chemical compound with molecular formula C11H23NO3 and molecular weight 217.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
Also Known As: Boc-DL-tert-leucinol, tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate, N-Boc-(S)-(+)-tert-leucinol, tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate, (S)-(-)-N-Boc-tert-leucinol
| Molecular Formula | C11H23NO3 |
| Molecular Weight | 217.1678 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.1678 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | CC(C)(C)C(CO)NC(=O)OC(C)(C)C |
| InChIKey | AZHJHZWFJVBGIL-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate has 2 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 tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is 142618-92-6.
The molecular formula of tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is C11H23NO3.
The molecular weight of tert-Butyl (1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is 217.1678 g/mol.
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