cyclopropyloxy(2-oxopropanoyl)phosphinic acid

C6H9O5P — CID 87671920

IUPACcyclopropyloxy(2-oxopropanoyl)phosphinic acid
SMILESCC(=O)C(=O)P(=O)(O)OC1CC1
InChIInChI=1S/C6H9O5P/c1-4(7)6(8)12(9,10)11-5-2-3-5/h5H,2-3H2,1H3,(H,9,10)
InChIKeyLGXWTZDXWDIMHM-UHFFFAOYSA-N
MW192.11 g/mol
LogP0.47
Rot. Bonds4

About cyclopropyloxy(2-oxopropanoyl)phosphinic acid

cyclopropyloxy(2-oxopropanoyl)phosphinic acid (PubChem CID 87671920) has the molecular formula C6H9O5P and a molecular weight of 192.11 g/mol. Its IUPAC name is cyclopropyloxy(2-oxopropanoyl)phosphinic acid.

Molecular Properties

Compound Namecyclopropyloxy(2-oxopropanoyl)phosphinic acid
PubChem CID87671920
Molecular FormulaC6H9O5P
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Namecyclopropyloxy(2-oxopropanoyl)phosphinic acid
SMILESCC(=O)C(=O)P(=O)(O)OC1CC1
InChIInChI=1S/C6H9O5P/c1-4(7)6(8)12(9,10)11-5-2-3-5/h5H,2-3H2,1H3,(H,9,10)
InChIKeyLGXWTZDXWDIMHM-UHFFFAOYSA-N
XLogP0.47
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopropyloxy(2-oxopropanoyl)phosphinic 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 cyclopropyloxy(2-oxopropanoyl)phosphinic acid?
The IUPAC name of cyclopropyloxy(2-oxopropanoyl)phosphinic acid (CID 87671920) is cyclopropyloxy(2-oxopropanoyl)phosphinic acid.
What is the SMILES notation for cyclopropyloxy(2-oxopropanoyl)phosphinic acid?
The canonical SMILES for cyclopropyloxy(2-oxopropanoyl)phosphinic acid is CC(=O)C(=O)P(=O)(O)OC1CC1.
What is the InChIKey of cyclopropyloxy(2-oxopropanoyl)phosphinic acid?
The InChIKey is LGXWTZDXWDIMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O5P/c1-4(7)6(8)12(9,10)11-5-2-3-5/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of cyclopropyloxy(2-oxopropanoyl)phosphinic acid?
cyclopropyloxy(2-oxopropanoyl)phosphinic acid has a molecular weight of 192.11 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxy(2-oxopropanoyl)phosphinic acid is sourced from PubChem (CID 87671920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).