2-oxopropanoylphosphonic acid

C3H5O5P — CID 175163312

IUPAC2-oxopropanoylphosphonic acid
SMILESCC(=O)C(=O)P(=O)(O)O
InChIInChI=1S/C3H5O5P/c1-2(4)3(5)9(6,7)8/h1H3,(H2,6,7,8)
InChIKeyWRGZKNDQSCWVHF-UHFFFAOYSA-N
MW152.04 g/mol
LogP-0.72
Rot. Bonds2

About 2-oxopropanoylphosphonic acid

2-oxopropanoylphosphonic acid (PubChem CID 175163312) has the molecular formula C3H5O5P and a molecular weight of 152.04 g/mol. Its IUPAC name is 2-oxopropanoylphosphonic acid.

Molecular Properties

Compound Name2-oxopropanoylphosphonic acid
PubChem CID175163312
Molecular FormulaC3H5O5P
Molecular Weight152.04 g/mol
Exact Mass151.99
IUPAC Name2-oxopropanoylphosphonic acid
SMILESCC(=O)C(=O)P(=O)(O)O
InChIInChI=1S/C3H5O5P/c1-2(4)3(5)9(6,7)8/h1H3,(H2,6,7,8)
InChIKeyWRGZKNDQSCWVHF-UHFFFAOYSA-N
XLogP-0.72
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.04
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-oxopropanoylphosphonic 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-oxopropanoylphosphonic acid?
The IUPAC name of 2-oxopropanoylphosphonic acid (CID 175163312) is 2-oxopropanoylphosphonic acid.
What is the SMILES notation for 2-oxopropanoylphosphonic acid?
The canonical SMILES for 2-oxopropanoylphosphonic acid is CC(=O)C(=O)P(=O)(O)O.
What is the InChIKey of 2-oxopropanoylphosphonic acid?
The InChIKey is WRGZKNDQSCWVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O5P/c1-2(4)3(5)9(6,7)8/h1H3,(H2,6,7,8).
What are the key properties of 2-oxopropanoylphosphonic acid?
2-oxopropanoylphosphonic acid has a molecular weight of 152.04 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropanoylphosphonic acid is sourced from PubChem (CID 175163312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).