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(1R,3s,5S)-9-(tert-butoxycarbonyl)-9-azabicyclo[3.3.1]nonane-3-carboxylic acid

(1R,3s,5S)-9-(tert-butoxycarbonyl)-9-azabicyclo[3.3.1]nonane-3-carboxylic acid

CAS: 2231663-92-4

Formula: C14H23NO4

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

IUPAC: (1R,3s,5S)-9-[(tert-butoxy)carbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid

InChI: InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-5-4-6-11(15)8-9(7-10)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9?,10-,11+

Composition: C (62.43%), H (8.61%), N (5.20%), O (23.76%)

Molar Mass: 269.341

Atom Count: 42

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 269.162708225
Formal Charge 0
FSP3 0.86
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ITNSBJMWGALKFI-FGWVZKOKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.55
Topological Polar Surface Area 66.84
Polarizability 27.53
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2231663-92-4 $360.65-$1,486.72$360.65$595.19$991.15$1,486.72
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