methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate

C11H19NO2 — CID 130595097

IUPACmethyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
SMILESCOC(=O)C(C)N1CC2CCC1CC2
InChIInChI=1S/C11H19NO2/c1-8(11(13)14-2)12-7-9-3-5-10(12)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyIIYOQJGMQWMCGC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate

methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate (PubChem CID 130595097) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
PubChem CID130595097
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
SMILESCOC(=O)C(C)N1CC2CCC1CC2
InChIInChI=1S/C11H19NO2/c1-8(11(13)14-2)12-7-9-3-5-10(12)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyIIYOQJGMQWMCGC-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-azabicyclo[2.2.2]octan-2-yl)pentan-3-one
CID 130595111
methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylbutanoate
CID 79407241
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743
methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
CID 135240223
methyl 2-azabicyclo[2.2.2]octane-2-carboxylate
CID 130165644
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate
CID 115648490
1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
CID 126972983

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate?
The IUPAC name of methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate (CID 130595097) is methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate.
What is the SMILES notation for methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate?
The canonical SMILES for methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate is COC(=O)C(C)N1CC2CCC1CC2.
What is the InChIKey of methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate?
The InChIKey is IIYOQJGMQWMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(11(13)14-2)12-7-9-3-5-10(12)6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate?
methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate is sourced from PubChem (CID 130595097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).