1-azabicyclo[2.2.1]heptane-7-carboxylic acid

C7H11NO2 — CID 15946564

IUPAC1-azabicyclo[2.2.1]heptane-7-carboxylic acid
SMILESO=C(O)C1C2CCN1CC2
InChIInChI=1S/C7H11NO2/c9-7(10)6-5-1-3-8(6)4-2-5/h5-6H,1-4H2,(H,9,10)
InChIKeyBSOXXQCXLBTRBM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.17
Rot. Bonds1

About 1-azabicyclo[2.2.1]heptane-7-carboxylic acid

1-azabicyclo[2.2.1]heptane-7-carboxylic acid (PubChem CID 15946564) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane-7-carboxylic acid.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane-7-carboxylic acid
PubChem CID15946564
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-azabicyclo[2.2.1]heptane-7-carboxylic acid
SMILESO=C(O)C1C2CCN1CC2
InChIInChI=1S/C7H11NO2/c9-7(10)6-5-1-3-8(6)4-2-5/h5-6H,1-4H2,(H,9,10)
InChIKeyBSOXXQCXLBTRBM-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carboxymethyl)-1-azabicyclo[2.2.2]octane-2-carboxylic acid
CID 44601459
2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 115020272
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
1,2-difluoro-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 141191769
ethyl (2R,3R)-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate
CID 124506757
3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-azabicyclo[2.2.2]octane-2-carboxylic acid
CID 171478862
2-oxo-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 105434018
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63066915
7-chloro-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid
CID 91609555
2-[[(2S)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxoacetic acid
CID 141388319
(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide
CID 67402613
2-benzhydryl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 18921965

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The IUPAC name of 1-azabicyclo[2.2.1]heptane-7-carboxylic acid (CID 15946564) is 1-azabicyclo[2.2.1]heptane-7-carboxylic acid.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane-7-carboxylic acid is O=C(O)C1C2CCN1CC2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane-7-carboxylic acid?
The InChIKey is BSOXXQCXLBTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)6-5-1-3-8(6)4-2-5/h5-6H,1-4H2,(H,9,10).
What are the key properties of 1-azabicyclo[2.2.1]heptane-7-carboxylic acid?
1-azabicyclo[2.2.1]heptane-7-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane-7-carboxylic acid is sourced from PubChem (CID 15946564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).