[aminooxy(methyl)phosphoryl] acetate

C3H8NO4P — CID 141024548

IUPAC[aminooxy(methyl)phosphoryl] acetate
SMILESCC(=O)OP(C)(=O)ON
InChIInChI=1S/C3H8NO4P/c1-3(5)7-9(2,6)8-4/h4H2,1-2H3
InChIKeyUCLZPUKYZQOBNN-UHFFFAOYSA-N
MW153.07 g/mol
LogP0.26
Rot. Bonds2

About [aminooxy(methyl)phosphoryl] acetate

[aminooxy(methyl)phosphoryl] acetate (PubChem CID 141024548) has the molecular formula C3H8NO4P and a molecular weight of 153.07 g/mol. Its IUPAC name is [aminooxy(methyl)phosphoryl] acetate.

Molecular Properties

Compound Name[aminooxy(methyl)phosphoryl] acetate
PubChem CID141024548
Molecular FormulaC3H8NO4P
Molecular Weight153.07 g/mol
Exact Mass153.02
IUPAC Name[aminooxy(methyl)phosphoryl] acetate
SMILESCC(=O)OP(C)(=O)ON
InChIInChI=1S/C3H8NO4P/c1-3(5)7-9(2,6)8-4/h4H2,1-2H3
InChIKeyUCLZPUKYZQOBNN-UHFFFAOYSA-N
XLogP0.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[methoxy(methyl)phosphoryl] acetate
CID 10034798
dimethylphosphoryl acetate
CID 87462570
diacetyloxyphosphoryl acetate;hydrate
CID 129021524
[aminooxy(methyl)phosphoryl] dihydrogen phosphate
CID 118566511
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
lithium;potassium;phosphono acetate
CID 71300541
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
magnesium bis(diacetyl phosphate)
CID 71300565
amino acetate;methanol
CID 174604339
[acetyloxy(ethyl)phosphoryl] acetate
CID 173089018
acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
CID 88649282
calcium;[acetyl(acetyloxy)phosphoryl] acetate;hydride
CID 175481862

Frequently Asked Questions

What is the IUPAC name of [aminooxy(methyl)phosphoryl] acetate?
The IUPAC name of [aminooxy(methyl)phosphoryl] acetate (CID 141024548) is [aminooxy(methyl)phosphoryl] acetate.
What is the SMILES notation for [aminooxy(methyl)phosphoryl] acetate?
The canonical SMILES for [aminooxy(methyl)phosphoryl] acetate is CC(=O)OP(C)(=O)ON.
What is the InChIKey of [aminooxy(methyl)phosphoryl] acetate?
The InChIKey is UCLZPUKYZQOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO4P/c1-3(5)7-9(2,6)8-4/h4H2,1-2H3.
What are the key properties of [aminooxy(methyl)phosphoryl] acetate?
[aminooxy(methyl)phosphoryl] acetate has a molecular weight of 153.07 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [aminooxy(methyl)phosphoryl] acetate is sourced from PubChem (CID 141024548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).