2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

C11H17NO2 — CID 130820095

IUPAC2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCC1CC(N2CC3CC2C3C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-6-2-8(3-6)12-5-7-4-9(12)10(7)11(13)14/h6-10H,2-5H2,1H3,(H,13,14)
InChIKeyXWYZEEMIIZPUGP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.19
Rot. Bonds2

About 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (PubChem CID 130820095) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
PubChem CID130820095
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCC1CC(N2CC3CC2C3C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-6-2-8(3-6)12-5-7-4-9(12)10(7)11(13)14/h6-10H,2-5H2,1H3,(H,13,14)
InChIKeyXWYZEEMIIZPUGP-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

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
2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 131002506
2-(3-methylcyclobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103565256
2-(methylcarbamoyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130840927
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
(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
3-methylcyclobutane-1-carboxylic acid
CID 3044406
(1R,2S,5S,9S,11R)-11-methyl-13-azatricyclo[7.3.1.05,13]tridecane-2-carboxylic acid
CID 101416391
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
(1R,2S,3R,4S)-3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99726372

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The IUPAC name of 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (CID 130820095) is 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.
What is the SMILES notation for 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The canonical SMILES for 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is CC1CC(N2CC3CC2C3C(=O)O)C1.
What is the InChIKey of 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The InChIKey is XWYZEEMIIZPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-2-8(3-6)12-5-7-4-9(12)10(7)11(13)14/h6-10H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-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-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is sourced from PubChem (CID 130820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).