tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

CAS: 478647-20-0

Formula: C11H20N2O3

SMILES: CC(C)(C)OC(=O)N1CC2CNCC(C1)O2

IUPAC: tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

InChI: InChI=1/C11H20N2O3/c1-11(2,3)16-10(14)13-6-8-4-12-5-9(7-13)15-8/h8-9,12H,4-7H2,1-3H3

Composition: C (57.87%), H (8.83%), N (12.27%), O (21.02%)

Molar Mass: 228.292

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	228.147392512
Formal Charge	0
FSP3	0.91
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LHJSYLNUEZBFED-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.86
Topological Polar Surface Area	50.8
Polarizability	23.69
Ring Count	2
Rotatable Bond Count	2

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