| CAS Number | 215918-39-1 |
| Catalog Number | AG01BJPY(AGN-PC-0QY4YC) |
| Chemical Name | tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-9(15-4)5-8(12)7-13/h8-9,13H,5-7H2,1-4H3 |
| InChI Key | ZYVBYRKLECISLP-UHFFFAOYSA-N |
| MDL Number | MFCD30829049 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | CO[C@@H]1CN(C(OC(C)(C)C)=O)[C@H](CO)C1 |
| Synonyms | tert-butyl 2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
1803572-11-3,
SCHEMBL1584687,
tert-Butyl (2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
215918-39-1,
B-1609,
tert-butyl (2r,4r)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
tert-butyl (2r,4s)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
TERT-BUTYL 2,4-BIS(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATE,
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
1058737-58-8,
185951-13-7,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number