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tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

CAS: 905306-11-8

Formula: C10H17NO3

SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CO2

IUPAC: tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-8-4-7(11)6-13-8/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1

Composition: C (60.28%), H (8.60%), N (7.03%), O (24.09%)

Molar Mass: 199.25

Atom Count: 31

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 199.120843411
Formal Charge 0
FSP3 0.9
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UETGVFOVBKMLPQ-YUMQZZPRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51
Topological Polar Surface Area 38.77
Polarizability 20.33
Ring Count 2
Rotatable Bond Count 2

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