| CAS Number | 204514-14-7 |
| Catalog Number | AG00BJ37(AGN-PC-0QUJJL) |
| Chemical Name | Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate |
| IUPAC Name | ethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C12H23NO4/c1-7-16-9(14)12(5,6)8-13-10(15)17-11(2,3)4/h7-8H2,1-6H3,(H,13,15) |
| InChI Key | AOBMJQSOIZGTLC-UHFFFAOYSA-N |
| MDL Number | MFCD24445652 |
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.3153 |
| SMILES | CCOC(=O)C(C)(C)CNC(=O)OC(C)(C)C |
| Synonyms | 204514-14-7,
Ethyl 3-((tert-butoxycarbonyl)amino)-2,2-dimethylpropanoate,
ethyl 3-[(tert-butoxycarbonyl)amino]-2,2-dimethylpropanoate,
SCHEMBL4240132,
AOBMJQSOIZGTLC-UHFFFAOYSA-N,
ZINC95936099,
SY058536,
Ethyl 3-(Boc-amino)-2,2-dimethylpropionate,
FT-0732417,
MFCD24445652 (95%),
ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate,
Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate,
3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethylPropanoic acid ethyl ester,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.319g/mol |
| Monoisotopic Mass | 245.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number