| CAS Number | 138742-19-5 |
| Catalog Number | AG01BVJN(AGN-PC-0PN7DE) |
| Chemical Name | 5-({[(tert-butoxy)carbonyl]amino}methyl)-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C10H14N2O5/c1-10(2,3)16-9(15)11-5-6-4-7(8(13)14)12-17-6/h4H,5H2,1-3H3,(H,11,15)(H,13,14) |
| InChI Key | FOYQJZMQGBWPOW-UHFFFAOYSA-N |
| MDL Number | MFCD10698163 |
| Molecular Formula | C10H14N2O5 |
| Molecular Weight | 242.2286 |
| SMILES | O=C(C1=NOC(CNC(OC(C)(C)C)=O)=C1)O |
| Synonyms | 138742-19-5,
5-[[(tert-Butoxycarbonyl)amino]methyl]isoxazole-3-carboxylic acid,
5-({[(tert-butoxy)carbonyl]amino}methyl)-1,2-oxazole-3-carboxylic acid,
5-{[(tert-butoxycarbonyl)amino]methyl}isoxazole-3-carboxylic acid,
5-([(TERT-BUTOXYCARBONYL)AMINO]METHYL)ISOXAZOLE-3-CARBOXYLIC ACID,
SCHEMBL1810190,
ZINC95642238,
AB61438,
SC-73939,
FT-0758839,
5-[[(tert-Butoxycarbonyl)amino]methyl]isoxazole-3-,
5-[(tert-Butoxycarbonylamino)methyl]isoxazole-3-carboxylic acid,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.231g/mol |
| Monoisotopic Mass | 242.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number