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169206-67-1 | 2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS No: 169206-67-1 Catalog No: AG001YL7 MDL No:MFCD11111226
Product Description
Catalog Number:
AG001YL7
Chemical Name:
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number:
169206-67-1
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
MDL Number:
MFCD11111226
IUPAC Name:
tert-butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-13(5-7-15)8-10(16)14-9-13/h4-9H2,1-3H3,(H,14,16)
InChI Key:
HNMWIKVFYHYBKX-UHFFFAOYSA-N
SMILES:
O=C1NCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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