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

C11H15NO4 — CID 10036602

IUPAC2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
SMILESCCCn1ccc(=O)c(OCC(=O)O)c1C
InChIInChI=1S/C11H15NO4/c1-3-5-12-6-4-9(13)11(8(12)2)16-7-10(14)15/h4,6H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyREFCHTIJQOHLSS-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.03
Rot. Bonds5

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

2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid (PubChem CID 10036602) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
PubChem CID10036602
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
SMILESCCCn1ccc(=O)c(OCC(=O)O)c1C
InChIInChI=1S/C11H15NO4/c1-3-5-12-6-4-9(13)11(8(12)2)16-7-10(14)15/h4,6H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyREFCHTIJQOHLSS-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-[(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
2-[(2-Ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
CID 10263637
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-Ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one
CID 10512754
[(1,6-Dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetic acid
CID 20544436
(3-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetic acid
CID 22766109
2-[(1,6-Dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid;hydrochloride
CID 70548431

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid (CID 10036602) is 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid is CCCn1ccc(=O)c(OCC(=O)O)c1C.
What is the InChIKey of 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
The InChIKey is REFCHTIJQOHLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-5-12-6-4-9(13)11(8(12)2)16-7-10(14)15/h4,6H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid?
2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 10036602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).