| CAS Number | 1807938-33-5 |
| Catalog Number | AG01A16N |
| Chemical Name | 1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate; oxalic acid |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate;oxalic acid |
| InChI | InChI=1S/C11H20N2O4.C2H2O4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;3-1(4)2(5)6/h7-8H,5-6,12H2,1-4H3;(H,3,4)(H,5,6)/t7-,8+;/m1./s1 |
| InChI Key | FTZGTCYADRPPTP-WLYNEOFISA-N |
| MDL Number | MFCD08461250 |
| Molecular Formula | C13H22N2O8 |
| Molecular Weight | 334.3224 |
| SMILES | COC([C@H]1N(C(OC(C)(C)C)=O)C[C@H](N)C1)=O.OC(C(O)=O)=O |
| Synonyms | oxalic acid 1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate,
1807938-33-5,
NE51294,
1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate; oxalic acid,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.325g/mol |
| Monoisotopic Mass | 334.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 157A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number