6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid

C11H13NO6 — CID 3010945

IUPAC6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCN(CC)C(=O)c1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C11H13NO6/c1-3-12(4-2)10(15)7-5-6(13)8(14)9(18-7)11(16)17/h5,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyKHHASRFLQOPIJF-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.53
Rot. Bonds4

About 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid

6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 3010945) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID3010945
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCN(CC)C(=O)c1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C11H13NO6/c1-3-12(4-2)10(15)7-5-6(13)8(14)9(18-7)11(16)17/h5,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyKHHASRFLQOPIJF-UHFFFAOYSA-N
XLogP0.53
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid (CID 3010945) is 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid is CCN(CC)C(=O)c1cc(=O)c(O)c(C(=O)O)o1.
What is the InChIKey of 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is KHHASRFLQOPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-3-12(4-2)10(15)7-5-6(13)8(14)9(18-7)11(16)17/h5,14H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 3010945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).