2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid

C8H8O5 — CID 54724094

IUPAC2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid
SMILESCc1oc(=O)cc(O)c1CC(=O)O
InChIInChI=1S/C8H8O5/c1-4-5(2-7(10)11)6(9)3-8(12)13-4/h3,9H,2H2,1H3,(H,10,11)
InChIKeyZPXXFOXAHPWXFF-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.28
Rot. Bonds2

About 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid

2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid (PubChem CID 54724094) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid
PubChem CID54724094
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid
SMILESCc1oc(=O)cc(O)c1CC(=O)O
InChIInChI=1S/C8H8O5/c1-4-5(2-7(10)11)6(9)3-8(12)13-4/h3,9H,2H2,1H3,(H,10,11)
InChIKeyZPXXFOXAHPWXFF-UHFFFAOYSA-N
XLogP0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic 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 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid (CID 54724094) is 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid is Cc1oc(=O)cc(O)c1CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid?
The InChIKey is ZPXXFOXAHPWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-4-5(2-7(10)11)6(9)3-8(12)13-4/h3,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid?
2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methyl-6-oxopyran-3-yl)acetic acid is sourced from PubChem (CID 54724094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).