1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate
TL;DR: 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate (CAS 106391-86-0) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
Also Known As: Boc-L-alaninol, N-Boc-L-alaninol, Boc-Alaninol, Boc-Ala-ol, boc-(s)-alaninol
Technical Specifications
| Molecular Formula | C8H17NO3 |
| Molecular Weight | 175.12085 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.12085 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C[C@@H](CO)NC(=O)OC(C)(C)C |
| InChIKey | PDAFIZPRSXHMCO-LURJTMIESA-N |
Chemical Property Profile of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate
Property Insights of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate has 2 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 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate?
The CAS number of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate is 106391-86-0.
What is the molecular formula of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate?
The molecular formula of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate is C8H17NO3.
What is the molecular weight of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate?
The molecular weight of 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate is 175.12085 g/mol.
Where can I buy 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate?
You can request a quote for 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for 1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.