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1159982-58-7 | 2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 5-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1159982-58-7 Catalog No: AG000HF9 MDL No:MFCD11840381
Product Description
Catalog Number:
AG000HF9
Chemical Name:
2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 5-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1159982-58-7
Molecular Formula:
C21H30N2O3
Molecular Weight:
358.4745
MDL Number:
MFCD11840381
IUPAC Name:
tert-butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
InChI:
InChI=1S/C21H30N2O3/c1-20(2,3)26-19(25)23-12-9-18(24)21(16-23)10-13-22(14-11-21)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChI Key:
WZRARNVPMCRKLL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=O)C2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.226g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.482g/mol
Monoisotopic Mass:
358.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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