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tert-butyl (1S,2R,5R)-2-methyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1S,2R,5R)-2-methyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 2716849-47-5

Formula: C13H21NO3

SMILES: C[C@@H]1[C@@H]2CC[C@H](CC1=O)N2C(=O)OC(C)(C)C

IUPAC: tert-butyl (1S,2R,5R)-2-methyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1S/C13H21NO3/c1-8-10-6-5-9(7-11(8)15)14(10)12(16)17-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9-,10+/m1/s1

Composition: C (65.25%), H (8.85%), N (5.85%), O (20.06%)

Molar Mass: 239.315

Atom Count: 38

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 239.15214354
Formal Charge 0
FSP3 0.85
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FRDKHPVZXIMDRB-BBBLOLIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.62
Topological Polar Surface Area 46.61
Polarizability 25.21
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2716849-47-5 $327.75-$3,059.00$327.75$540.50$966.00$1,817.00$3,059.00$11,362.00
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