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

C12H17NO4 — CID 10243320

IUPAC3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
SMILESCCc1c(OCCC(=O)O)c(=O)ccn1CC
InChIInChI=1S/C12H17NO4/c1-3-9-12(17-8-6-11(15)16)10(14)5-7-13(9)4-2/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyWYFUOJJOJPKZMN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.28
Rot. Bonds6

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

3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid (PubChem CID 10243320) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
PubChem CID10243320
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
SMILESCCc1c(OCCC(=O)O)c(=O)ccn1CC
InChIInChI=1S/C12H17NO4/c1-3-9-12(17-8-6-11(15)16)10(14)5-7-13(9)4-2/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyWYFUOJJOJPKZMN-UHFFFAOYSA-N
XLogP1.28
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid?
The IUPAC name of 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid (CID 10243320) is 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid.
What is the SMILES notation for 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid?
The canonical SMILES for 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid is CCc1c(OCCC(=O)O)c(=O)ccn1CC.
What is the InChIKey of 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid?
The InChIKey is WYFUOJJOJPKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-9-12(17-8-6-11(15)16)10(14)5-7-13(9)4-2/h5,7H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid?
3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid is sourced from PubChem (CID 10243320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).