| CAS Number | 1097257-19-6 |
| Catalog Number | AG0099D4(AGN-PC-0BSCKQ) |
| Chemical Name | 5-(1-((tert-Butoxycarbonyl)amino)ethyl)isoxazole-3-carboxylic acid |
| IUPAC Name | 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C11H16N2O5/c1-6(12-10(16)17-11(2,3)4)8-5-7(9(14)15)13-18-8/h5-6H,1-4H3,(H,12,16)(H,14,15) |
| InChI Key | QHPHGGWCQRZOIQ-UHFFFAOYSA-N |
| MDL Number | MFCD24532820 |
| Molecular Formula | C11H16N2O5 |
| Molecular Weight | 256.2551 |
| SMILES | CC(C1ON=C(C(O)=O)C=1)NC(OC(C)(C)C)=O |
| Synonyms | 1097257-19-6,
5-(1-((tert-Butoxycarbonyl)amino)ethyl)isoxazole-3-carboxylic acid,
SCHEMBL2058770,
DTXSID30727051,
AX8249150,
5-{1-[(tert-Butoxycarbonyl)amino]ethyl}-1,2-oxazole-3-carboxylic acid,
3-Isoxazolecarboxylic acid, 5-[1-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-,
5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid,
(R)-5-(1-(tert-butoxycarbonylamino)ethyl)isoxazole-3-carboxylic acid,
893842-76-7,
5-(1-((tert-Butoxycarbonyl)amino)ethyl)isoxazole-3-carboxylicacid,
(S)-5-(1-((TERT-BUTOXYCARBONYL)AMINO)ETHYL)ISOXAZOLE-3-CARBOXYLIC ACID,
1095825-67-4,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.258g/mol |
| Monoisotopic Mass | 256.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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