| CAS Number | 185951-13-7 |
| Catalog Number | AG01AM6L(AGN-PC-0QEWGY) |
| Chemical Name | tert-Butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (2S,4R)-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/t8-,9+/m0/s1 |
| InChI Key | ZYVBYRKLECISLP-DTWKUNHWSA-N |
| MDL Number | MFCD28968385 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | CO[C@H]1CN(C(OC(C)(C)C)=O)[C@H](CO)C1 |
| Synonyms | 185951-13-7,
(2S,4R)-tert-butyl 2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
SCHEMBL7918399,
ZYVBYRKLECISLP-DTWKUNHWSA-N,
MFCD28968385,
ZINC116590985,
AS-41207,
CS-0091724,
N-t-butoxycarbonyl-trans-4-methoxy-L-prolinol,
(2S,4R)-N-Boc-2-(hydroxymethyl)-4-methoxypyrrolidine,
t-Butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number