tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate

C14H23NO2 — CID 155401752

IUPACtert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC3CC(C1)C3C2
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-13(16)15-7-9-4-10-6-11(8-15)12(10)5-9/h9-12H,4-8H2,1-3H3
InChIKeySKVAGKQCIMMVGM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds

About tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate

tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate (PubChem CID 155401752) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate
PubChem CID155401752
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC3CC(C1)C3C2
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-13(16)15-7-9-4-10-6-11(8-15)12(10)5-9/h9-12H,4-8H2,1-3H3
InChIKeySKVAGKQCIMMVGM-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97294954
tert-butyl (1R,5R)-7-(hydroxymethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate?
The IUPAC name of tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate (CID 155401752) is tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate.
What is the SMILES notation for tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate?
The canonical SMILES for tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate is CC(C)(C)OC(=O)N1CC2CC3CC(C1)C3C2.
What is the InChIKey of tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate?
The InChIKey is SKVAGKQCIMMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)17-13(16)15-7-9-4-10-6-11(8-15)12(10)5-9/h9-12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate?
tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate is sourced from PubChem (CID 155401752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).