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1263279-47-5 | Spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylic acid, 5'-oxo-, 1,1-dimethylethyl ester
CAS No: 1263279-47-5 Catalog No: AG000SLA MDL No:
Product Description
Catalog Number:
AG000SLA
Chemical Name:
Spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylic acid, 5'-oxo-, 1,1-dimethylethyl ester
CAS Number:
1263279-47-5
Molecular Formula:
C15H24N2O3
Molecular Weight:
280.3627
IUPAC Name:
tert-butyl 2'-oxospiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-8-carboxylate
InChI:
InChI=1S/C15H24N2O3/c1-14(2,3)20-13(19)17-10-4-5-11(17)7-15(6-10)8-12(18)16-9-15/h10-11H,4-9H2,1-3H3,(H,16,18)
InChI Key:
BVZLMGZDGLPDSB-UHFFFAOYSA-N
SMILES:
O=C1NCC2(C1)CC1CCC(C2)N1C(=O)OC(C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.368g/mol
Monoisotopic Mass:
280.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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