ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate

C10H13NO4 — CID 15386524

IUPACethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C10H13NO4/c1-3-15-9(13)6-11-5-4-8(12)10(14)7(11)2/h4-5,14H,3,6H2,1-2H3
InChIKeyFLXGSVFXJCOFHW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.43
Rot. Bonds3

About ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate

ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate (PubChem CID 15386524) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
PubChem CID15386524
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C10H13NO4/c1-3-15-9(13)6-11-5-4-8(12)10(14)7(11)2/h4-5,14H,3,6H2,1-2H3
InChIKeyFLXGSVFXJCOFHW-UHFFFAOYSA-N
XLogP0.43
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
1(4H)-Pyridinepropanoic acid, 3-hydroxy-2-methyl-4-oxo-, ethyl ester
CID 10513376
2-Ethyl-3-hydroxy-1-(2-pivaloyloxyethyl)pyridin-4-one
CID 9838237
1-(2,2-Diethoxyethyl)-3-hydroxy-2-methylpyridin-4-one
CID 10776475
4(1H)-Pyridinone, 3-hydroxy-1-(2-methoxy-1-methy
CID 14956303
4(1h)-Pyridinone,1-(2,2-dimethoxyethyl)-3-hydroxy-2-methyl-
CID 10608630
(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-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid
CID 44358075
(3-Hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)acetic acid
CID 185983

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate (CID 15386524) is ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1ccc(=O)c(O)c1C.
What is the InChIKey of ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
The InChIKey is FLXGSVFXJCOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-15-9(13)6-11-5-4-8(12)10(14)7(11)2/h4-5,14H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate has a molecular weight of 211.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 15386524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).