tert-butyl N-(1-oxopropan-2-yl)carbamate
TL;DR: tert-butyl N-(1-oxopropan-2-yl)carbamate (CAS 114857-82-8) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(1-oxopropan-2-yl)carbamate
Also Known As: tert-Butyl (1-oxopropan-2-yl)carbamate, Boc-L-alaninal, Boc-Ala-Aldehyde, N-Boc-aminopropanal, n-boc-l-alaninal
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.1052 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.1052 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | CC(C=O)NC(=O)OC(C)(C)C |
| InChIKey | OEQRZPWMXXJEKU-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-(1-oxopropan-2-yl)carbamate
Property Insights of tert-butyl N-(1-oxopropan-2-yl)carbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1-oxopropan-2-yl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-(1-oxopropan-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(1-oxopropan-2-yl)carbamate 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 N-(1-oxopropan-2-yl)carbamate?
The CAS number of tert-butyl N-(1-oxopropan-2-yl)carbamate is 114857-82-8.
What is the molecular formula of tert-butyl N-(1-oxopropan-2-yl)carbamate?
The molecular formula of tert-butyl N-(1-oxopropan-2-yl)carbamate is C8H15NO3.
What is the molecular weight of tert-butyl N-(1-oxopropan-2-yl)carbamate?
The molecular weight of tert-butyl N-(1-oxopropan-2-yl)carbamate is 173.1052 g/mol.
Where can I buy tert-butyl N-(1-oxopropan-2-yl)carbamate?
You can request a quote for tert-butyl N-(1-oxopropan-2-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-(1-oxopropan-2-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-(1-oxopropan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.