| CAS Number | 1065075-72-0 |
| Catalog Number | AG00HATU |
| Chemical Name | 3-(tert-Butoxycarbonylamino)-5-tert-butylisoxazole-4-carboxylic acid |
| IUPAC Name | 5-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C13H20N2O5/c1-12(2,3)8-7(10(16)17)9(15-20-8)14-11(18)19-13(4,5)6/h1-6H3,(H,16,17)(H,14,15,18) |
| InChI Key | AJOOKLUMLWKVAN-UHFFFAOYSA-N |
| MDL Number | MFCD11100928 |
| Molecular Formula | C13H20N2O5 |
| Molecular Weight | 284.3083 |
| SMILES | CC(C)(C)OC(=O)NC1=NOC(=C1C(O)=O)C(C)(C)C |
| Synonyms | 1065075-72-0,
3-(BOC-AMINO)-5-TERT-BUTYLISOXAZOLE-4-CARBOXYLIC ACID,
3-(TERT-BUTOXYCARBONYLAMINO)-5-TERT-BUTYLISOXAZOLE-4-CARBOXYLIC ACID,
3-((tert-Butoxycarbonyl)amino)-5-(tert-butyl)isoxazole-4-carboxylic acid,
CTK7G9191,
AR3323,
MFCD11100928,
ZINC35287595,
AKOS027334982,
AS-45581,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.312g/mol |
| Monoisotopic Mass | 284.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number