| CAS Number | 1250994-08-1 |
| Catalog Number | AG01ALJA(AGN-PC-0WG4K7) |
| Chemical Name | rac-tert-butyl (4aR,7aR)-3-oxo-octahydropyrrolo[3,4-b]morpholine-6-carboxylate |
| IUPAC Name | tert-butyl (4aR,7aR)-3-oxo-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate |
| InChI | InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)13-4-7-8(5-13)16-6-9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1 |
| InChI Key | YDGKPNUYHUQQDS-HTQZYQBOSA-N |
| MDL Number | MFCD12198672 |
| Molecular Formula | C11H18N2O4 |
| Molecular Weight | 242.2716 |
| SMILES | CC(OC(N1C[C@H]2[C@@H](NC(CO2)=O)C1)=O)(C)C |
| Synonyms | 1250994-08-1,
Trans-Tert-Butyl3-Oxohexahydropyrrolo[3,4-B][1,4]Oxazine-6(2H)-Carboxylate,
1808448-17-0,
MFCD12198672,
ZINC91304469,
AKOS034809666,
AM805632,
Z2216302982,
tert-butyl (4aR,7aR)-3-oxo-octahydropyrrolo[3,4-b]morpholine-6-carboxylate,
tert-butyl3-oxohexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate,
trans-t-Butyl3-oxohexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.275g/mol |
| Monoisotopic Mass | 242.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number