| CAS Number | 1372202-46-4 |
| Catalog Number | AG00IMDH(AGN-PC-0WANSG) |
| Chemical Name | (S)-2-(tert-Butoxycarbonyl)isoxazolidine-3-carboxylic Acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid |
| InChI | InChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6(7(11)12)4-5-14-10/h6H,4-5H2,1-3H3,(H,11,12) |
| InChI Key | FQNQHKBAZFREIU-UHFFFAOYSA-N |
| MDL Number | MFCD30725075 |
| Molecular Formula | C9H15NO5 |
| Molecular Weight | 217.2191 |
| SMILES | CC(C)(C)OC(=O)N1[C@@H](CCO1)C(=O)O |
| Synonyms | (3S)-2-tert-butoxycarbonylisoxazolidine-3-carboxylic acid,
1372202-46-4,
SCHEMBL15971162,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.221g/mol |
| Monoisotopic Mass | 217.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number