tert-butyl 12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxylate

tert-butyl 12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxylate

CAS: 1268334-76-4

Formula: C14H25N3O3

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)NCCCNC2=O

IUPAC: tert-butyl 12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxylate

InChI: InChI=1S/C14H25N3O3/c1-13(2,3)20-12(19)17-9-5-14(6-10-17)11(18)15-7-4-8-16-14/h16H,4-10H2,1-3H3,(H,15,18)

Composition: C (59.34%), H (8.89%), N (14.83%), O (16.94%)

Molar Mass: 283.372

Atom Count: 45

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	283.189591677
Formal Charge	0
FSP3	0.86
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZMAXWXREJIFKEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.58
Topological Polar Surface Area	70.67
Polarizability	29.73
Ring Count	2
Rotatable Bond Count	2

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