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1199794-51-8 | 4,7-Diazaspiro[2.5]octane-7-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
CAS No: 1199794-51-8 Catalog No: AG000PYI MDL No:MFCD18064603
Product Description
Catalog Number:
AG000PYI
Chemical Name:
4,7-Diazaspiro[2.5]octane-7-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
CAS Number:
1199794-51-8
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
MDL Number:
MFCD18064603
IUPAC Name:
tert-butyl 5-oxo-4,7-diazaspiro[2.5]octane-7-carboxylate
InChI:
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-8(14)12-11(7-13)4-5-11/h4-7H2,1-3H3,(H,12,14)
InChI Key:
SRXIYVLXAASOHA-UHFFFAOYSA-N
SMILES:
O=C1CN(CC2(N1)CC2)C(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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