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tert-butyl (1R,3r,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate

tert-butyl (1R,3r,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate

CAS: 934180-37-7

Formula: C13H23NO3

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

IUPAC: tert-butyl (1R,3r,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate

InChI: InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-11,15H,4-8H2,1-3H3/t9-,10+,11?

Composition: C (64.70%), H (9.61%), N (5.80%), O (19.89%)

Molar Mass: 241.331

Atom Count: 40

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 241.167793605
Formal Charge 0
FSP3 0.92
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GGTYYYZFCWRSSG-ZACCUICWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.9
Topological Polar Surface Area 49.77
Polarizability 25.76
Ring Count 2
Rotatable Bond Count 2

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97% <7 Days 934180-37-7 $206.64-$2,950.86$206.64$294.53$447.87$639.54$1,796.14$2,950.86
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97% <5 Days 934180-37-7 $229.50-$944.49$229.50$366.95$630.50$944.49
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