2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid

C9H11NO4 — CID 86058350

IUPAC2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCOc1cn(CC(=O)O)c(C)cc1=O
InChIInChI=1S/C9H11NO4/c1-6-3-7(11)8(14-2)4-10(6)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyBXSTTZSSJUWBRE-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.25
Rot. Bonds3

About 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid

2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid (PubChem CID 86058350) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
PubChem CID86058350
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCOc1cn(CC(=O)O)c(C)cc1=O
InChIInChI=1S/C9H11NO4/c1-6-3-7(11)8(14-2)4-10(6)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyBXSTTZSSJUWBRE-UHFFFAOYSA-N
XLogP0.25
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid
CID 10241813
(2S)-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid
CID 10241814
(3-Hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)acetic acid
CID 185983
5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
5-Methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
CID 114201555
5-Methoxy-4-oxo-1-(4,4,4-trifluorobutan-2-yl)pyridine-2-carboxylic acid
CID 114201647
Methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
CID 13011400
Ethyl 2-(3-hydroxy-2-methyl-4-oxopyridin-1-YL)acetate
CID 15386524
[(1,6-Dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetic acid
CID 20544436
2-(3-Methoxy-4-oxo-1-pyridinyl)acetic acid
CID 21320046
2-(3-Hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid
CID 21739116
2-(2-Ethyl-3-hydroxy-4-oxo-1-pyridinyl)acetic acid
CID 21739118

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid (CID 86058350) is 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid is COc1cn(CC(=O)O)c(C)cc1=O.
What is the InChIKey of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is BXSTTZSSJUWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-3-7(11)8(14-2)4-10(6)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 86058350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).