2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

C12H17NO2 — CID 131002506

IUPAC2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESO=C(O)C1C2CC1N(C1CCC3CC31)C2
InChIInChI=1S/C12H17NO2/c14-12(15)11-7-4-10(11)13(5-7)9-2-1-6-3-8(6)9/h6-11H,1-5H2,(H,14,15)
InChIKeyFJPNAUWYGBGZSF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.19
Rot. Bonds2

About 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (PubChem CID 131002506) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
PubChem CID131002506
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESO=C(O)C1C2CC1N(C1CCC3CC31)C2
InChIInChI=1S/C12H17NO2/c14-12(15)11-7-4-10(11)13(5-7)9-2-1-6-3-8(6)9/h6-11H,1-5H2,(H,14,15)
InChIKeyFJPNAUWYGBGZSF-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130820095
2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 131015199
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638
4-(2-bicyclo[3.1.0]hexanyl)morpholine-3-carboxylic acid
CID 83835004
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
2-(methylcarbamoyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130840927
3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 105439475
(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 55300462
2-pyrimidin-4-yl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130820073
(1S,3R,5S,6R)-tricyclo[3.2.1.03,6]octane-2-carboxylic acid
CID 131034566
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 98071497
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 56972812

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The IUPAC name of 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (CID 131002506) is 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.
What is the SMILES notation for 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The canonical SMILES for 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is O=C(O)C1C2CC1N(C1CCC3CC31)C2.
What is the InChIKey of 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The InChIKey is FJPNAUWYGBGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12(15)11-7-4-10(11)13(5-7)9-2-1-6-3-8(6)9/h6-11H,1-5H2,(H,14,15).
What are the key properties of 2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid has a molecular weight of 207.27 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-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is sourced from PubChem (CID 131002506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).