3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid

C13H19NO4 — CID 10332485

IUPAC3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid
SMILESCCCn1ccc(=O)c(OCCC(=O)O)c1CC
InChIInChI=1S/C13H19NO4/c1-3-7-14-8-5-11(15)13(10(14)4-2)18-9-6-12(16)17/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyGHGGPQNKSYKNFM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.67
Rot. Bonds7

About 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid

3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid (PubChem CID 10332485) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid
PubChem CID10332485
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid
SMILESCCCn1ccc(=O)c(OCCC(=O)O)c1CC
InChIInChI=1S/C13H19NO4/c1-3-7-14-8-5-11(15)13(10(14)4-2)18-9-6-12(16)17/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyGHGGPQNKSYKNFM-UHFFFAOYSA-N
XLogP1.67
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid?
The IUPAC name of 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid (CID 10332485) is 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid?
The canonical SMILES for 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid is CCCn1ccc(=O)c(OCCC(=O)O)c1CC.
What is the InChIKey of 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid?
The InChIKey is GHGGPQNKSYKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-7-14-8-5-11(15)13(10(14)4-2)18-9-6-12(16)17/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid?
3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid is sourced from PubChem (CID 10332485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).