| CAS Number | 1416134-63-8 |
| Catalog Number | AG009XUL(AGN-PC-0WG3GH) |
| Chemical Name | methyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate |
| IUPAC Name | ethyl (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate |
| InChI | InChI=1S/C16H20N2O4/c1-2-21-15(19)14-9-8-13-10-17(14)16(20)18(13)22-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m1/s1 |
| InChI Key | PVECPYUZEQQDKD-KGLIPLIRSA-N |
| MDL Number | MFCD30719356 |
| Molecular Formula | C16H20N2O4 |
| Molecular Weight | 304.3410 |
| SMILES | O=C([C@H](CC[C@@]1([H])N2OCC3=CC=CC=C3)N(C1)C2=O)OCC |
| Synonyms | Ethyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate,
1416134-63-8,
SCHEMBL14243919,
PVECPYUZEQQDKD-KGLIPLIRSA-N,
MFCD30719356,
ZINC144165630,
SB18668,
AS-54236,
CS-0049562,
(2S,5R)-6-benzyloxy-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carboxylic acid ethyl ester,
(2S,5R)-ethyl 6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate,
methyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.346g/mol |
| Monoisotopic Mass | 304.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number