2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid

C9H11NO4 — CID 22766109

IUPAC2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCOc1c(C)n(CC(=O)O)ccc1=O
InChIInChI=1S/C9H11NO4/c1-6-9(14-2)7(11)3-4-10(6)5-8(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWBPVBPRIKYEMNJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.25
Rot. Bonds3

About 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid

2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid (PubChem CID 22766109) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
PubChem CID22766109
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCOc1c(C)n(CC(=O)O)ccc1=O
InChIInChI=1S/C9H11NO4/c1-6-9(14-2)7(11)3-4-10(6)5-8(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWBPVBPRIKYEMNJ-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

1-(2-Hydroxyethyl)-3-methoxy-2-methylpyridin-4(1H)-one
CID 336938
(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
2-(2-Ethyl-3-hydroxy-4-oxo-1-pyridinyl)ethyl acetate
CID 10775554
5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
2-(5-Methoxy-2-methyl-4-oxo-1,4-dihydropyridin-1-YL)acetic acid
CID 86058350
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
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
2-[(1,2-Diethyl-4-oxo-3-pyridinyl)oxy]acetic acid
CID 10421212

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid (CID 22766109) is 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid is COc1c(C)n(CC(=O)O)ccc1=O.
What is the InChIKey of 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is WBPVBPRIKYEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-9(14-2)7(11)3-4-10(6)5-8(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid?
2-(3-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-(3-methoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 22766109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).