| CAS Number | 847942-82-9 |
| Catalog Number | AG00G80I(AGN-PC-0UTXM7) |
| Chemical Name | (S)-tert-Butyl 3-(benzyloxy)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (3S)-3-phenylmethoxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-9-14(11-17)19-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1 |
| InChI Key | SNDPVESSAGLHJB-AWEZNQCLSA-N |
| MDL Number | MFCD00067710 |
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.3587 |
| SMILES | CC(C)(C)OC(=O)N1CC[C@@H](C1)OCC1=CC=CC=C1 |
| Synonyms | (S)-tert-Butyl 3-(benzyloxy)pyrrolidine-1-carboxylate,
847942-82-9,
SCHEMBL20503925,
SNDPVESSAGLHJB-AWEZNQCLSA-N,
MFCD16620826,
ZINC96302938,
FCH3670109,
AK206148,
AS-44782,
tert-Butyl (3S)-3-(benzyloxy)pyrrolidine-1-carboxylate,
(R)-tert-Butyl 3-(Benzyloxy)pyrrolidine-1-carboxylate,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.364g/mol |
| Monoisotopic Mass | 277.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number