Text Search
Structure Search

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

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

CAS: 273207-58-2

Formula: C13H23NO3

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

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

InChI: InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15/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 WPHYDBXMMSEFTR-RTCCRHLQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.11
Topological Polar Surface Area 49.77
Polarizability 25.76
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 273207-58-2 $384.61$384.61
Request Quote