tert-butyl (1R,5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 185099-67-6

Formula: C12H19NO3

SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(=O)C2

IUPAC: tert-butyl (1R,5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1

Composition: C (63.98%), H (8.50%), N (6.22%), O (21.30%)

Molar Mass: 225.288

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	225.136493476
Formal Charge	0
FSP3	0.83
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MENILFUADYEXNU-DTORHVGOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.05
Topological Polar Surface Area	46.61
Polarizability	23.38
Ring Count	2
Rotatable Bond Count	2

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