2,3-dimethoxy-3-oxopropanoic acid

C5H8O5 — CID 15004075

IUPAC2,3-dimethoxy-3-oxopropanoic acid
SMILESCOC(=O)C(OC)C(=O)O
InChIInChI=1S/C5H8O5/c1-9-3(4(6)7)5(8)10-2/h3H,1-2H3,(H,6,7)
InChIKeyADLPNADGKPULBG-UHFFFAOYSA-N
MW148.11 g/mol
LogP-0.74
Rot. Bonds3

About 2,3-dimethoxy-3-oxopropanoic acid

2,3-dimethoxy-3-oxopropanoic acid (PubChem CID 15004075) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2,3-dimethoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-3-oxopropanoic acid
PubChem CID15004075
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2,3-dimethoxy-3-oxopropanoic acid
SMILESCOC(=O)C(OC)C(=O)O
InChIInChI=1S/C5H8O5/c1-9-3(4(6)7)5(8)10-2/h3H,1-2H3,(H,6,7)
InChIKeyADLPNADGKPULBG-UHFFFAOYSA-N
XLogP-0.74
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-3-oxopropanoic acid?
The IUPAC name of 2,3-dimethoxy-3-oxopropanoic acid (CID 15004075) is 2,3-dimethoxy-3-oxopropanoic acid.
What is the SMILES notation for 2,3-dimethoxy-3-oxopropanoic acid?
The canonical SMILES for 2,3-dimethoxy-3-oxopropanoic acid is COC(=O)C(OC)C(=O)O.
What is the InChIKey of 2,3-dimethoxy-3-oxopropanoic acid?
The InChIKey is ADLPNADGKPULBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c1-9-3(4(6)7)5(8)10-2/h3H,1-2H3,(H,6,7).
What are the key properties of 2,3-dimethoxy-3-oxopropanoic acid?
2,3-dimethoxy-3-oxopropanoic acid has a molecular weight of 148.11 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-3-oxopropanoic acid is sourced from PubChem (CID 15004075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).