tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

CAS: 944238-89-5

Formula: C11H20N2O2

SMILES: CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2

IUPAC: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

InChI: InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-9(13)6-12-8/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1

Composition: C (62.24%), H (9.50%), N (13.20%), O (15.07%)

Molar Mass: 212.293

Atom Count: 35

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	212.152477892
Formal Charge	0
FSP3	0.91
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RBLOMFQUEUBEBG-IUCAKERBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.33
Topological Polar Surface Area	41.57
Polarizability	22.97
Ring Count	2
Rotatable Bond Count	2

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