2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid

C11H17NO2 — CID 115020272

IUPAC2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
SMILESO=C(O)C1C2CCN(CC2)C1C1CC1
InChIInChI=1S/C11H17NO2/c13-11(14)9-7-3-5-12(6-4-7)10(9)8-1-2-8/h7-10H,1-6H2,(H,13,14)
InChIKeyYVMMNWOXIPSYJC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.19
Rot. Bonds2

About 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid

2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid (PubChem CID 115020272) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
PubChem CID115020272
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
SMILESO=C(O)C1C2CCN(CC2)C1C1CC1
InChIInChI=1S/C11H17NO2/c13-11(14)9-7-3-5-12(6-4-7)10(9)8-1-2-8/h7-10H,1-6H2,(H,13,14)
InChIKeyYVMMNWOXIPSYJC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 15946564
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
2-benzhydryl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 18921965
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
1-azatricyclo[5.4.1.04,12]dodecane
CID 45098480
2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol
CID 115016022
3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid
CID 58339464
(2R,3S)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 1400202
3-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434705
(2R,3R)-3-ethylbicyclo[2.2.2]octane-2-carboxylic acid
CID 130834786
2-oxo-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 105434018
3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17374583

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid (CID 115020272) is 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid is O=C(O)C1C2CCN(CC2)C1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
The InChIKey is YVMMNWOXIPSYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)9-7-3-5-12(6-4-7)10(9)8-1-2-8/h7-10H,1-6H2,(H,13,14).
What are the key properties of 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid is sourced from PubChem (CID 115020272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).