6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid

C15H13NO5 — CID 59356743

IUPAC6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)c1cc(=O)cc(C(=O)O)o1
InChIInChI=1S/C15H13NO5/c1-16(9-10-5-3-2-4-6-10)14(18)12-7-11(17)8-13(21-12)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYCFDSRBPNDHPQK-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.61
Rot. Bonds4

About 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid

6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid (PubChem CID 59356743) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid
PubChem CID59356743
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)c1cc(=O)cc(C(=O)O)o1
InChIInChI=1S/C15H13NO5/c1-16(9-10-5-3-2-4-6-10)14(18)12-7-11(17)8-13(21-12)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYCFDSRBPNDHPQK-UHFFFAOYSA-N
XLogP1.61
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[benzyl(methyl)carbamoyl]-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-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid (CID 59356743) is 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid is CN(Cc1ccccc1)C(=O)c1cc(=O)cc(C(=O)O)o1.
What is the InChIKey of 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid?
The InChIKey is YCFDSRBPNDHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-16(9-10-5-3-2-4-6-10)14(18)12-7-11(17)8-13(21-12)15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid?
6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)carbamoyl]-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 59356743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).