| CAS Number | 1984825-18-4 |
| Catalog Number | AG01DHYY |
| Chemical Name | (2S,4S,5S)-1-TERT-BUTYL 2-METHYL 4-HYDROXY-5-METHYLPYRROLIDINE-1,2-DICARBOXYLATE |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate |
| InChI | InChI=1S/C12H21NO5/c1-7-9(14)6-8(10(15)17-5)13(7)11(16)18-12(2,3)4/h7-9,14H,6H2,1-5H3/t7-,8-,9-/m0/s1 |
| InChI Key | PULURDQJGWVSBE-CIUDSAMLSA-N |
| MDL Number | MFCD30471803 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)OC(C)(C)C)C)O |
| Synonyms | 1984825-18-4,
SCHEMBL18018155,
PULURDQJGWVSBE-CIUDSAMLSA-N,
MFCD30471803,
AKOS030628010,
ZINC498050774,
(2S,4S,5S)-1-t-Butyl 2-methyl 4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate,
1-tert-butyl 2-methyl (2S,4S,5S)-4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate,
(2S,4S,5S)-1-tert-Butyl 2-methyl 4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number