5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid

C11H15NO5 — CID 141116666

IUPAC5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESCCOC(=O)CC1=C(C)CCN(C(=O)O)C1=O
InChIInChI=1S/C11H15NO5/c1-3-17-9(13)6-8-7(2)4-5-12(10(8)14)11(15)16/h3-6H2,1-2H3,(H,15,16)
InChIKeyOGUWVQDLLXJSPE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.17
Rot. Bonds3

About 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid

5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid (PubChem CID 141116666) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid
PubChem CID141116666
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESCCOC(=O)CC1=C(C)CCN(C(=O)O)C1=O
InChIInChI=1S/C11H15NO5/c1-3-17-9(13)6-8-7(2)4-5-12(10(8)14)11(15)16/h3-6H2,1-2H3,(H,15,16)
InChIKeyOGUWVQDLLXJSPE-UHFFFAOYSA-N
XLogP1.17
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
CID 57456898
ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate
CID 69116841
ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate
CID 91153409
ethyl 2-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetate
CID 158513913
ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate
CID 10932400
2-[2-(2-ethoxy-2-oxoethyl)sulfanyl-6-oxocyclohexen-1-yl]acetic acid
CID 21276986
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 10707422
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
2-[4-(2-ethoxy-2-oxoethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 14047640
2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 70297607
ethyl 2-phenylacetate
CID 7590
4-(carboxymethyl)thiophene-3-carboxylic acid;4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 159092743

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid?
The IUPAC name of 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid (CID 141116666) is 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid is CCOC(=O)CC1=C(C)CCN(C(=O)O)C1=O.
What is the InChIKey of 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid?
The InChIKey is OGUWVQDLLXJSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-17-9(13)6-8-7(2)4-5-12(10(8)14)11(15)16/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid?
5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 141116666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).