propan-2-yloxymethylphosphonamidous acid

C4H12NO2P — CID 87529932

IUPACpropan-2-yloxymethylphosphonamidous acid
SMILESCC(C)OCP(N)O
InChIInChI=1S/C4H12NO2P/c1-4(2)7-3-8(5)6/h4,6H,3,5H2,1-2H3
InChIKeyNRBILEYRXYWKCY-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.63
Rot. Bonds3

About propan-2-yloxymethylphosphonamidous acid

propan-2-yloxymethylphosphonamidous acid (PubChem CID 87529932) has the molecular formula C4H12NO2P and a molecular weight of 137.12 g/mol. Its IUPAC name is propan-2-yloxymethylphosphonamidous acid.

Molecular Properties

Compound Namepropan-2-yloxymethylphosphonamidous acid
PubChem CID87529932
Molecular FormulaC4H12NO2P
Molecular Weight137.12 g/mol
Exact Mass137.06
IUPAC Namepropan-2-yloxymethylphosphonamidous acid
SMILESCC(C)OCP(N)O
InChIInChI=1S/C4H12NO2P/c1-4(2)7-3-8(5)6/h4,6H,3,5H2,1-2H3
InChIKeyNRBILEYRXYWKCY-UHFFFAOYSA-N
XLogP0.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propan-2-yloxymethylphosphonamidous 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 propan-2-yloxymethylphosphonamidous acid?
The IUPAC name of propan-2-yloxymethylphosphonamidous acid (CID 87529932) is propan-2-yloxymethylphosphonamidous acid.
What is the SMILES notation for propan-2-yloxymethylphosphonamidous acid?
The canonical SMILES for propan-2-yloxymethylphosphonamidous acid is CC(C)OCP(N)O.
What is the InChIKey of propan-2-yloxymethylphosphonamidous acid?
The InChIKey is NRBILEYRXYWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2P/c1-4(2)7-3-8(5)6/h4,6H,3,5H2,1-2H3.
What are the key properties of propan-2-yloxymethylphosphonamidous acid?
propan-2-yloxymethylphosphonamidous acid has a molecular weight of 137.12 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxymethylphosphonamidous acid is sourced from PubChem (CID 87529932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).