2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid

C11H15NO4 — CID 10421212

IUPAC2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCCc1c(OCC(=O)O)c(=O)ccn1CC
InChIInChI=1S/C11H15NO4/c1-3-8-11(16-7-10(14)15)9(13)5-6-12(8)4-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyRDXGSXRIXSLDTN-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.89
Rot. Bonds5

About 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid

2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid (PubChem CID 10421212) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid
PubChem CID10421212
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCCc1c(OCC(=O)O)c(=O)ccn1CC
InChIInChI=1S/C11H15NO4/c1-3-8-11(16-7-10(14)15)9(13)5-6-12(8)4-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyRDXGSXRIXSLDTN-UHFFFAOYSA-N
XLogP0.89
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid (CID 10421212) is 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid is CCc1c(OCC(=O)O)c(=O)ccn1CC.
What is the InChIKey of 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The InChIKey is RDXGSXRIXSLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-8-11(16-7-10(14)15)9(13)5-6-12(8)4-2/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 10421212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).