5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid

C11H13NO6 — CID 114201514

IUPAC5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid
SMILESCOC(=O)CCn1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C11H13NO6/c1-17-9-6-12(4-3-10(14)18-2)7(11(15)16)5-8(9)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyHJTACAYKYZLLLA-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.12
Rot. Bonds5

About 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid

5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid (PubChem CID 114201514) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid
PubChem CID114201514
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid
SMILESCOC(=O)CCn1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C11H13NO6/c1-17-9-6-12(4-3-10(14)18-2)7(11(15)16)5-8(9)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyHJTACAYKYZLLLA-UHFFFAOYSA-N
XLogP0.12
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid (CID 114201514) is 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid is COC(=O)CCn1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid?
The InChIKey is HJTACAYKYZLLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-17-9-6-12(4-3-10(14)18-2)7(11(15)16)5-8(9)13/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid?
5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).