| CAS Number | 79799-26-1 |
| Catalog Number | AG019ZRC(AGN-PC-0WOFET) |
| Chemical Name | 4-{[(tert-butoxy)carbonyl]amino}-2-methylbutanoic acid |
| IUPAC Name | 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C10H19NO4/c1-7(8(12)13)5-6-11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13) |
| InChI Key | NMXJIDPAYKUADJ-UHFFFAOYSA-N |
| MDL Number | MFCD22382013 |
| Molecular Formula | C10H19NO4 |
| Molecular Weight | 217.2622 |
| SMILES | C(C)(C)(C)OC(=O)NCCC(C(=O)O)C |
| Synonyms | 79799-26-1,
rac 4-Bocamino-2-methyl-butyric acid,
4-((tert-Butoxycarbonyl)amino)-2-methylbutanoic acid,
4-{[(tert-butoxy)carbonyl]amino}-2-methylbutanoic acid,
ACMC-20mz06,
SCHEMBL45626,
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (R)-,
CTK8H5322,
139561-10-7,
MFCD22382013,
AKOS019104988,
rac 4-Boc-amino-2-methyl-butyric acid,
4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-methylbutanoic acid,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.265g/mol |
| Monoisotopic Mass | 217.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number