tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate

C14H23NO2 — CID 141371401

IUPACtert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1C2CC3CC(C2)CN1C3
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-13(16)12-11-5-9-4-10(6-11)8-15(12)7-9/h9-12H,4-8H2,1-3H3
InChIKeyFFHDGTZEJTYIPF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.06
Rot. Bonds1

About tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate

tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate (PubChem CID 141371401) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate
PubChem CID141371401
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1C2CC3CC(C2)CN1C3
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-13(16)12-11-5-9-4-10(6-11)8-15(12)7-9/h9-12H,4-8H2,1-3H3
InChIKeyFFHDGTZEJTYIPF-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl]-1-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 141383092
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate
CID 155401752
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
tert-butyl 1,2-diazabicyclo[3.1.1]heptane-3-carboxylate
CID 161308597
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
ditert-butyl (2S,3S,4R)-3-ethyl-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 11370479
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
(1S,2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 122533004
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonane-7-carboxylate
CID 74420433
tert-butyl (1R,5R)-7-(hydroxymethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 170075586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate?
The IUPAC name of tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate (CID 141371401) is tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate?
The canonical SMILES for tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate is CC(C)(C)OC(=O)C1C2CC3CC(C2)CN1C3.
What is the InChIKey of tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate?
The InChIKey is FFHDGTZEJTYIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)17-13(16)12-11-5-9-4-10(6-11)8-15(12)7-9/h9-12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate?
tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-azatricyclo[3.3.1.13,7]decane-2-carboxylate is sourced from PubChem (CID 141371401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).