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benzyl (1R,3r,5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate

benzyl (1R,3r,5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate

Formula: C14H17NO3

SMILES: O[C@@H]1C[C@@H]2C[C@H](C1)N2C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (1R,3r,5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate

InChI: InChI=1S/C14H17NO3/c16-13-7-11-6-12(8-13)15(11)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2/t11-,12+,13+

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 247.120843411
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WUMNAJCXIDWXFE-ITGUQSILSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.46
Topological Polar Surface Area 49.77
Polarizability 26.13
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C14H17NO3 $687.70-$2,162.00$687.70$1,147.70$2,162.00
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