| CAS Number | 859213-33-5 |
| Catalog Number | AG01JHJ7(AGN-PC-3H6E09) |
| Chemical Name | tert-Butyl (3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12/h7-8,11,13H,5-6H2,1-4H3 |
| InChI Key | IJLLHXGWHBTSPV-UHFFFAOYSA-N |
| MDL Number | MFCD30181353 |
| Molecular Formula | C11H22N2O3 |
| Molecular Weight | 230.304 |
| SMILES | CN([C@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C)C |
| Synonyms | tert-butyl 3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate,
143588-01-6,
(3S,4S)-tert-Butyl 3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate,
(3S,4S)-tert-Butyl 3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate,
859213-33-5,
203503-49-5,
SCHEMBL391518,
rel-tert-Butyl (3R,4S)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate,
IJLLHXGWHBTSPV-UHFFFAOYSA-N,
3-hydroxy-4-methylamino-pyrrolidine-1-carboxylic acid tert-butyl ester,
(+/-)-3-Hydroxy-4-methylamino-pyrrolidine-1-carboxylic acid, tert-butyl ester,
1375065-15-8,
(3R,4R)-rel-tert-Butyl 3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate,
429673-81-4,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.281g/mol |
| Monoisotopic Mass | 216.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number