tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate

C14H24N2O2 — CID 124647050

IUPACtert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H]2C[C@H]3NC[C@H]3C[C@H]2C1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-7-10-4-9-6-15-12(9)5-11(10)8-16/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
InChIKeyBMISVJFOVWERFO-WRWGMCAJSA-N
MW252.36 g/mol
LogP1.85
Rot. Bonds

About tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate

tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate (PubChem CID 124647050) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate
PubChem CID124647050
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H]2C[C@H]3NC[C@H]3C[C@H]2C1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-7-10-4-9-6-15-12(9)5-11(10)8-16/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
InChIKeyBMISVJFOVWERFO-WRWGMCAJSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate with MolForge

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Related Compounds

tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
acetamide;tert-butyl (1R,5S)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 143874394
tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate
CID 125461872
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 69032277
tert-butyl 5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 112547151
tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 169078814
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703
tert-butyl (1S,6R)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124704176
tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 163286603
tert-butyl (1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 97294954

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate?
The IUPAC name of tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate (CID 124647050) is tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate.
What is the SMILES notation for tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate?
The canonical SMILES for tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate is CC(C)(C)OC(=O)N1C[C@H]2C[C@H]3NC[C@H]3C[C@H]2C1.
What is the InChIKey of tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate?
The InChIKey is BMISVJFOVWERFO-WRWGMCAJSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-7-10-4-9-6-15-12(9)5-11(10)8-16/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate?
tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate is sourced from PubChem (CID 124647050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).