propan-2-ylperoxyphosphonamidic acid

C3H10NO4P — CID 90013406

IUPACpropan-2-ylperoxyphosphonamidic acid
SMILESCC(C)OOP(N)(=O)O
InChIInChI=1S/C3H10NO4P/c1-3(2)7-8-9(4,5)6/h3H,1-2H3,(H3,4,5,6)
InChIKeyAFZIGJRDWVFNOH-UHFFFAOYSA-N
MW155.09 g/mol
LogP0.40
Rot. Bonds3

About propan-2-ylperoxyphosphonamidic acid

propan-2-ylperoxyphosphonamidic acid (PubChem CID 90013406) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is propan-2-ylperoxyphosphonamidic acid.

Molecular Properties

Compound Namepropan-2-ylperoxyphosphonamidic acid
PubChem CID90013406
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Namepropan-2-ylperoxyphosphonamidic acid
SMILESCC(C)OOP(N)(=O)O
InChIInChI=1S/C3H10NO4P/c1-3(2)7-8-9(4,5)6/h3H,1-2H3,(H3,4,5,6)
InChIKeyAFZIGJRDWVFNOH-UHFFFAOYSA-N
XLogP0.40
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

aminooxyphosphonamidic acid
CID 22629890
carbonic acid;2-propan-2-ylperoxypropane
CID 87099800
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
1-silyloxyethylphosphonic acid
CID 173192117
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
aminophosphonic acid;methylphosphonic acid
CID 87311898
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
bis(propan-2-yl 2-methylpropaneperoxoate);zirconium
CID 88861451

Frequently Asked Questions

What is the IUPAC name of propan-2-ylperoxyphosphonamidic acid?
The IUPAC name of propan-2-ylperoxyphosphonamidic acid (CID 90013406) is propan-2-ylperoxyphosphonamidic acid.
What is the SMILES notation for propan-2-ylperoxyphosphonamidic acid?
The canonical SMILES for propan-2-ylperoxyphosphonamidic acid is CC(C)OOP(N)(=O)O.
What is the InChIKey of propan-2-ylperoxyphosphonamidic acid?
The InChIKey is AFZIGJRDWVFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c1-3(2)7-8-9(4,5)6/h3H,1-2H3,(H3,4,5,6).
What are the key properties of propan-2-ylperoxyphosphonamidic acid?
propan-2-ylperoxyphosphonamidic acid has a molecular weight of 155.09 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylperoxyphosphonamidic acid is sourced from PubChem (CID 90013406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).