2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

C12H19NO2 — CID 131015199

IUPAC2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCC1(C)CCC1N1CC2CC1C2C(=O)O
InChIInChI=1S/C12H19NO2/c1-12(2)4-3-9(12)13-6-7-5-8(13)10(7)11(14)15/h7-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyGKZPUTOKGNDTIW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds2

About 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (PubChem CID 131015199) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
PubChem CID131015199
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCC1(C)CCC1N1CC2CC1C2C(=O)O
InChIInChI=1S/C12H19NO2/c1-12(2)4-3-9(12)13-6-7-5-8(13)10(7)11(14)15/h7-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyGKZPUTOKGNDTIW-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
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-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 131002506
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638
2-(methylcarbamoyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130840927
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79862792
7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 115029171
1-(2,2-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 79853568
(1S,4R,5R)-2-[(1S,4R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-5-carbonyl]-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 170904715
7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79853136
1-(2,2-dimethylcyclobutyl)-2-methylpiperidin-4-amine
CID 130554797
1-(4,4-dimethylthian-3-yl)piperidine-3-carboxylic acid
CID 79955917
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (CID 131015199) is 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is CC1(C)CCC1N1CC2CC1C2C(=O)O.
What is the InChIKey of 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The InChIKey is GKZPUTOKGNDTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)4-3-9(12)13-6-7-5-8(13)10(7)11(14)15/h7-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is sourced from PubChem (CID 131015199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).