methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate

C11H17NO2 — CID 169228077

IUPACmethyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
SMILESCOC(=O)C12CCCN1C1CCC2C1
InChIInChI=1S/C11H17NO2/c1-14-10(13)11-5-2-6-12(11)9-4-3-8(11)7-9/h8-9H,2-7H2,1H3
InChIKeyFBZSIBIUCAOONR-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.18
Rot. Bonds1

About methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate

methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate (PubChem CID 169228077) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
PubChem CID169228077
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
SMILESCOC(=O)C12CCCN1C1CCC2C1
InChIInChI=1S/C11H17NO2/c1-14-10(13)11-5-2-6-12(11)9-4-3-8(11)7-9/h8-9H,2-7H2,1H3
InChIKeyFBZSIBIUCAOONR-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid
CID 70410520
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 146294452
dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate
CID 175052903
methyl (2S)-2-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 58388106
7-O-tert-butyl 1-O-methyl (1R,2R,4S)-2-hydroxy-7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
CID 101179984
methyl 1-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclopropane-1-carboxylate
CID 136532014
methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856905
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
2-O-tert-butyl 8-O-methyl (2S,3R,8S)-3-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine-2,8-dicarboxylate
CID 171590795
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158

Frequently Asked Questions

What is the IUPAC name of methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate?
The IUPAC name of methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate (CID 169228077) is methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate.
What is the SMILES notation for methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate?
The canonical SMILES for methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate is COC(=O)C12CCCN1C1CCC2C1.
What is the InChIKey of methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate?
The InChIKey is FBZSIBIUCAOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-10(13)11-5-2-6-12(11)9-4-3-8(11)7-9/h8-9H,2-7H2,1H3.
What are the key properties of methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate?
methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate is sourced from PubChem (CID 169228077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).