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

C12H17NO4 — CID 10263637

IUPAC2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
SMILESCCCn1ccc(=O)c(OCC(=O)O)c1CC
InChIInChI=1S/C12H17NO4/c1-3-6-13-7-5-10(14)12(9(13)4-2)17-8-11(15)16/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyLONGXCNBGZTEGB-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.28
Rot. Bonds6

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

2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid (PubChem CID 10263637) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
PubChem CID10263637
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
SMILESCCCn1ccc(=O)c(OCC(=O)O)c1CC
InChIInChI=1S/C12H17NO4/c1-3-6-13-7-5-10(14)12(9(13)4-2)17-8-11(15)16/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyLONGXCNBGZTEGB-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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Related Compounds

1(4H)-Pyridinepropanoic acid, 3-hydroxy-2-methyl-4-oxo-, ethyl ester
CID 10513376
2-[(4-Hydroxy-2-methyl-3-pyridyl)oxy]acetic acid
CID 2726303
2-(2-Ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate
CID 10775554
2-[(2-Methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
CID 10036602
2-[(1-Ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
CID 10242245
3-[(1,2-Diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
CID 10243320
3-[(2-Ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]propanoic acid
CID 10332485
2-[(1,2-Diethyl-4-oxo-3-pyridinyl)oxy]acetic acid
CID 10421212
2-(1-Ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate
CID 18997172
[(1,6-Dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetic acid
CID 20544436
Ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride
CID 23178726
3-Butoxy-1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one
CID 68258078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid (CID 10263637) is 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid is CCCn1ccc(=O)c(OCC(=O)O)c1CC.
What is the InChIKey of 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
The InChIKey is LONGXCNBGZTEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-6-13-7-5-10(14)12(9(13)4-2)17-8-11(15)16/h5,7H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic 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 2-[(2-ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 10263637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).