| CAS Number | 82706-45-4 |
| Catalog Number | AG01AUN6(AGN-PC-007H0B) |
| Chemical Name | 3-methylbut-2-en-1-yl 2-{[(tert-butoxy)carbonyl]amino}acetate |
| IUPAC Name | 3-methylbut-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate |
| InChI | InChI=1S/C12H21NO4/c1-9(2)6-7-16-10(14)8-13-11(15)17-12(3,4)5/h6H,7-8H2,1-5H3,(H,13,15) |
| InChI Key | RETUDQDPHDHFRZ-UHFFFAOYSA-N |
| MDL Number | MFCD24466647 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | C/C(/C)=C/COC(CNC(OC(C)(C)C)=O)=O |
| Synonyms | 82706-45-4,
3-methylbut-2-en-1-yl 2-{[(tert-butoxy)carbonyl]amino}acetate,
3-methyl-2-butenyl N-(tert-butoxycarbonyl)glycinate,
SCHEMBL6823130,
RETUDQDPHDHFRZ-UHFFFAOYSA-N,
ZINC141205181,
3-Methyl-2-butenyl [(tert-butoxycarbonyl)amino]acetate,
3-methylbut-2-en-1-yl 2-((tert-butoxycarbonyl)amino)acetate,
CID11356946,
3-methylbut-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number