| CAS Number | 1628205-95-7 |
| Catalog Number | AG001TGE(AGN-PC-0WNH46) |
| Chemical Name | 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 4-oxo-, 5-(1,1-dimethylethyl) 6-(phenylmethyl) ester, (6S)- |
| IUPAC Name | 6-O-benzyl 5-O-tert-butyl (6S)-4-oxo-5-azaspiro[2.4]heptane-5,6-dicarboxylate |
| InChI | InChI=1S/C19H23NO5/c1-18(2,3)25-17(23)20-14(11-19(9-10-19)16(20)22)15(21)24-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1 |
| InChI Key | FFXSATUFRAGOJZ-AWEZNQCLSA-N |
| MDL Number | MFCD30749389 |
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.3896 |
| SMILES | CC(C)(C)OC(=O)N1[C@@H](CC2(CC2)C1=O)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 6-benzyl 5-tert-butyl (6S)-4-oxo-5-azaspiro[2.4]heptane-5,6-dicarboxylate,
1628205-95-7,
MFCD30749389,
ZINC616568827,
AS-53959,
CS-0050330,
KS-00000882,
6-Benzyl 5-t-butyl (6S)-4-oxo-5-azaspiro[2.4]heptane-5,6-dicarboxylate,
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| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.395g/mol |
| Monoisotopic Mass | 345.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number