methyl 2-dimethoxyphosphorylpropanoate

C6H13O5P — CID 11019771

IUPACmethyl 2-dimethoxyphosphorylpropanoate
SMILESCOC(=O)C(C)P(=O)(OC)OC
InChIInChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3
InChIKeySTYUEUAAPQZSTL-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-dimethoxyphosphorylpropanoate

methyl 2-dimethoxyphosphorylpropanoate (PubChem CID 11019771) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is methyl 2-dimethoxyphosphorylpropanoate.

Molecular Properties

Compound Namemethyl 2-dimethoxyphosphorylpropanoate
PubChem CID11019771
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Namemethyl 2-dimethoxyphosphorylpropanoate
SMILESCOC(=O)C(C)P(=O)(OC)OC
InChIInChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3
InChIKeySTYUEUAAPQZSTL-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-dimethoxyphosphorylpropanoate 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 methyl 2-dimethoxyphosphorylpropanoate?
The IUPAC name of methyl 2-dimethoxyphosphorylpropanoate (CID 11019771) is methyl 2-dimethoxyphosphorylpropanoate.
What is the SMILES notation for methyl 2-dimethoxyphosphorylpropanoate?
The canonical SMILES for methyl 2-dimethoxyphosphorylpropanoate is COC(=O)C(C)P(=O)(OC)OC.
What is the InChIKey of methyl 2-dimethoxyphosphorylpropanoate?
The InChIKey is STYUEUAAPQZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3.
What are the key properties of methyl 2-dimethoxyphosphorylpropanoate?
methyl 2-dimethoxyphosphorylpropanoate has a molecular weight of 196.14 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dimethoxyphosphorylpropanoate is sourced from PubChem (CID 11019771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).