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1158749-94-0 | 1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 1158749-94-0 Catalog No: AG000H04 MDL No:MFCD12198560
Product Description
Catalog Number:
AG000H04
Chemical Name:
1,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1158749-94-0
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
MDL Number:
MFCD12198560
IUPAC Name:
tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-8-6-13(7-9-15)5-4-10(16)14-13/h4-9H2,1-3H3,(H,14,16)
InChI Key:
MHBGZEDGKJRVPB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCC(=O)N2)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:
0.9
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