2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C15H20N2O3 — CID 79561821

IUPAC2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC2CC3CCC2C3)c1
InChIInChI=1S/C15H20N2O3/c16-13-3-4-14(18)17(7-13)8-15(19)20-9-12-6-10-1-2-11(12)5-10/h3-4,7,10-12H,1-2,5-6,8-9,16H2
InChIKeyOAODZMREFWJPTG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 79561821) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID79561821
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC2CC3CCC2C3)c1
InChIInChI=1S/C15H20N2O3/c16-13-3-4-14(18)17(7-13)8-15(19)20-9-12-6-10-1-2-11(12)5-10/h3-4,7,10-12H,1-2,5-6,8-9,16H2
InChIKeyOAODZMREFWJPTG-UHFFFAOYSA-N
XLogP1.41
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 79561821) is 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OCC2CC3CCC2C3)c1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is OAODZMREFWJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13-3-4-14(18)17(7-13)8-15(19)20-9-12-6-10-1-2-11(12)5-10/h3-4,7,10-12H,1-2,5-6,8-9,16H2.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 276.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 79561821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).