Text Search
Structure Search

tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate; tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate; tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

Formula: C20H36N4O4

SMILES: CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@H]12.CC(C)(C)OC(=O)N1C[C@H]2CNC[C@@H]12

IUPAC: tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate; tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

InChI: InChI=1S/2C10H18N2O2/c2*1-10(2,3)14-9(13)12-6-7-4-11-5-8(7)12/h2*7-8,11H,4-6H2,1-3H3/t2*7-,8-/m10/s1

Composition: C (60.58%), H (9.15%), N (14.13%), O (16.14%)

Molar Mass: 396.532

Atom Count: 64

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 396.273655655
Formal Charge 0
FSP3 0.9
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BKAUKCUJEJQKTN-SRPOWUSQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.7
Topological Polar Surface Area 41.57
Polarizability 21.13
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
LabNetwork INC
Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C20H36N4O4 $294.84-$3,184.27$294.84$530.71$1,061.42$3,184.27
Request Quote