1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid

C13H19NO5 — CID 114201624

IUPAC1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCCOC(C)(C)Cn1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C13H19NO5/c1-5-19-13(2,3)8-14-7-11(18-4)10(15)6-9(14)12(16)17/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyGHPYDVVLDAEWHO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.37
Rot. Bonds6

About 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid

1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201624) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201624
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCCOC(C)(C)Cn1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C13H19NO5/c1-5-19-13(2,3)8-14-7-11(18-4)10(15)6-9(14)12(16)17/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyGHPYDVVLDAEWHO-UHFFFAOYSA-N
XLogP1.37
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201624) is 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid is CCOC(C)(C)Cn1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is GHPYDVVLDAEWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-5-19-13(2,3)8-14-7-11(18-4)10(15)6-9(14)12(16)17/h6-7H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).