propanoylphosphonic acid

C3H7O4P — CID 10130096

IUPACpropanoylphosphonic acid
SMILESCCC(=O)P(=O)(O)O
InChIInChI=1S/C3H7O4P/c1-2-3(4)8(5,6)7/h2H2,1H3,(H2,5,6,7)
InChIKeyPGQFEEGXXRXUTC-UHFFFAOYSA-N
MW138.06 g/mol
LogP0.10
Rot. Bonds2

About propanoylphosphonic acid

propanoylphosphonic acid (PubChem CID 10130096) has the molecular formula C3H7O4P and a molecular weight of 138.06 g/mol. Its IUPAC name is propanoylphosphonic acid.

Molecular Properties

Compound Namepropanoylphosphonic acid
PubChem CID10130096
Molecular FormulaC3H7O4P
Molecular Weight138.06 g/mol
Exact Mass138.01
IUPAC Namepropanoylphosphonic acid
SMILESCCC(=O)P(=O)(O)O
InChIInChI=1S/C3H7O4P/c1-2-3(4)8(5,6)7/h2H2,1H3,(H2,5,6,7)
InChIKeyPGQFEEGXXRXUTC-UHFFFAOYSA-N
XLogP0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.06
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propanoylphosphonic 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 propanoylphosphonic acid?
The IUPAC name of propanoylphosphonic acid (CID 10130096) is propanoylphosphonic acid.
What is the SMILES notation for propanoylphosphonic acid?
The canonical SMILES for propanoylphosphonic acid is CCC(=O)P(=O)(O)O.
What is the InChIKey of propanoylphosphonic acid?
The InChIKey is PGQFEEGXXRXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4P/c1-2-3(4)8(5,6)7/h2H2,1H3,(H2,5,6,7).
What are the key properties of propanoylphosphonic acid?
propanoylphosphonic acid has a molecular weight of 138.06 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoylphosphonic acid is sourced from PubChem (CID 10130096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).