2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

C11H17NO3 — CID 130184694

IUPAC2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
SMILESCC(C)(C)C(=O)N1CC2CC1(C(=O)O)C2
InChIInChI=1S/C11H17NO3/c1-10(2,3)8(13)12-6-7-4-11(12,5-7)9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyAHGRKSBZYJWIAB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds1

About 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (PubChem CID 130184694) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
PubChem CID130184694
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
SMILESCC(C)(C)C(=O)N1CC2CC1(C(=O)O)C2
InChIInChI=1S/C11H17NO3/c1-10(2,3)8(13)12-6-7-4-11(12,5-7)9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyAHGRKSBZYJWIAB-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (CID 130184694) is 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is CC(C)(C)C(=O)N1CC2CC1(C(=O)O)C2.
What is the InChIKey of 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The InChIKey is AHGRKSBZYJWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(2,3)8(13)12-6-7-4-11(12,5-7)9(14)15/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is sourced from PubChem (CID 130184694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).