2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

C7H11NO2 — CID 130916638

IUPAC2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCN1CC2CC1C2C(=O)O
InChIInChI=1S/C7H11NO2/c1-8-3-4-2-5(8)6(4)7(9)10/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyRBIHOVGCAADWSO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.02
Rot. Bonds1

About 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid

2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (PubChem CID 130916638) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
PubChem CID130916638
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
SMILESCN1CC2CC1C2C(=O)O
InChIInChI=1S/C7H11NO2/c1-8-3-4-2-5(8)6(4)7(9)10/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyRBIHOVGCAADWSO-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylcarbamoyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130840927
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-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 131002506
(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
(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
CID 129230068
4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid
CID 105440635
(3S,4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid
CID 5288070
2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 84653507
2-methyl-5-propan-2-yl-2-azabicyclo[2.1.1]hexane
CID 174197326
2-pyrimidin-4-yl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130820073
(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 163490746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The IUPAC name of 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid (CID 130916638) is 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The canonical SMILES for 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is CN1CC2CC1C2C(=O)O.
What is the InChIKey of 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
The InChIKey is RBIHOVGCAADWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-3-4-2-5(8)6(4)7(9)10/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid?
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid is sourced from PubChem (CID 130916638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).