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1194376-44-7 | 2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS No: 1194376-44-7 Catalog No: AG000IRU MDL No:MFCD11227044
Product Description
Catalog Number:
AG000IRU
Chemical Name:
2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS Number:
1194376-44-7
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD11227044
IUPAC Name:
tert-butyl 1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChI Key:
RJXAFHSMTSRJKE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)CCNC2=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| tert-Butyl 6-oxo-2,7-diaza-spiro[4.4]nonane-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20111201 |
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