7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C13H22N2O2 — CID 81468358

IUPAC7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CC(N2C3CCC2C(C(=O)O)C3)CN1C
InChIInChI=1S/C13H22N2O2/c1-8-5-10(7-14(8)2)15-9-3-4-12(15)11(6-9)13(16)17/h8-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyDWPQVWLKGNXFLI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds2

About 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 81468358) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID81468358
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CC(N2C3CCC2C(C(=O)O)C3)CN1C
InChIInChI=1S/C13H22N2O2/c1-8-5-10(7-14(8)2)15-9-3-4-12(15)11(6-9)13(16)17/h8-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyDWPQVWLKGNXFLI-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 81468358) is 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC1CC(N2C3CCC2C(C(=O)O)C3)CN1C.
What is the InChIKey of 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is DWPQVWLKGNXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-5-10(7-14(8)2)15-9-3-4-12(15)11(6-9)13(16)17/h8-12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 81468358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).