| CAS Number | 952443-93-5 |
| Catalog Number | AG00IIVT(AGN-PC-0WG3Y4) |
| Chemical Name | Trans-tert-butyl 3-(((benzyloxy)carbonyl)amino)-4-hydroxypyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (3R,4R)-3-hydroxy-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)19-9-13(14(20)10-19)18-15(21)23-11-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,21)/t13-,14-/m1/s1 |
| InChI Key | QBBSDMSNGMRKCQ-ZIAGYGMSSA-N |
| MDL Number | MFCD27997504 |
| Molecular Formula | C17H24N2O5 |
| Molecular Weight | 336.3829 |
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C1)NC(=O)OCc1ccccc1 |
| Synonyms | trans-tert-butyl 3-(((benzyloxy)carbonyl)amino)-4-hydroxypyrrolidine-1-carboxylate,
952443-93-5,
SCHEMBL2534996,
QBBSDMSNGMRKCQ-ZIAGYGMSSA-N,
MFCD27997504,
ZINC97759030,
CS-0039138,
t-butyl (3R,4R)-3-benzyloxycarbonylamino-4-hydroxypyrrolidine-1-carboxylate,
(3R,4R)-tert-butyl 3-(benzyloxycarbonylamino)-4-hydroxypyrrolidine-1-carboxylate,
tert-Butyl (3R,4R)-3-hydroxy-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.388g/mol |
| Monoisotopic Mass | 336.169g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number