| CAS Number | 1807938-50-6 |
| Catalog Number | AG0022CE(AGN-PC-0WD6Q0) |
| Chemical Name | 3,4-Morpholinedicarboxylic acid, 2-methyl-, 4-(1,1-dimethylethyl) ester, (2R,3S)- |
| IUPAC Name | (2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1 |
| InChI Key | XUJUXKBCUVWHIX-SFYZADRCSA-N |
| MDL Number | MFCD22394660 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | O=C([C@H]1N(C(OC(C)(C)C)=O)CCO[C@@H]1C)O |
| Synonyms | 1807938-50-6,
(2R,3S)-4-(tert-Butoxycarbonyl)-2-methylmorpholine-3-carboxylic acid,
ZINC71478344,
AKOS024463778,
AS-37401,
ST24034015,
(2R,3S)-4-[(tert-butoxy)carbonyl]-2-methylmorpholine-3-carboxylic acid,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number