tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate

C14H24N2O2 — CID 125461872

IUPACtert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-7-10-9-4-5-12(15-6-9)11(10)8-16/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKeyDONLAKDVNUXGSC-WHOHXGKFSA-N
MW252.36 g/mol
LogP1.85
Rot. Bonds

About tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate

tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate (PubChem CID 125461872) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate
PubChem CID125461872
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-7-10-9-4-5-12(15-6-9)11(10)8-16/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKeyDONLAKDVNUXGSC-WHOHXGKFSA-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 (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate with MolForge

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Related Compounds

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,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate
CID 124647050
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (5aS,8aS,8bR)-3,3-dioxo-1,2,3a,4,5,5a,6,8,8a,8b-decahydro-[1,2]thiazolo[4,5-e]isoindole-7-carboxylate
CID 71305462
tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 169078814
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 163286603
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096
tert-butyl 4-cyano-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 142582609
tert-butyl (3S,5R)-3-cyclopropyl-5-methylpiperazine-1-carboxylate
CID 155904722
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 68729079

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate?
The IUPAC name of tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate (CID 125461872) is tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate.
What is the SMILES notation for tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate?
The canonical SMILES for tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1.
What is the InChIKey of tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate?
The InChIKey is DONLAKDVNUXGSC-WHOHXGKFSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-7-10-9-4-5-12(15-6-9)11(10)8-16/h9-12,15H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1.
What are the key properties of tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate?
tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-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 (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate is sourced from PubChem (CID 125461872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).