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1628205-95-7 | 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 4-oxo-, 5-(1,1-dimethylethyl) 6-(phenylmethyl) ester, (6S)-
CAS No: 1628205-95-7 Catalog No: AG001TGE MDL No:
Product Description
Catalog Number:
AG001TGE
Chemical Name:
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 4-oxo-, 5-(1,1-dimethylethyl) 6-(phenylmethyl) ester, (6S)-
CAS Number:
1628205-95-7
Molecular Formula:
C19H23NO5
Molecular Weight:
345.3896
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
SMILES:
O=C([C@@H]1CC2(C(=O)N1C(=O)OC(C)(C)C)CC2)OCc1ccccc1
Properties
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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