methyl 2-diazenyl-2-dimethoxyphosphorylacetate

C5H11N2O5P — CID 174673364

IUPACmethyl 2-diazenyl-2-dimethoxyphosphorylacetate
SMILES[H]/N=N/C(C(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C5H11N2O5P/c1-10-5(8)4(7-6)13(9,11-2)12-3/h4,6H,1-3H3/b7-6+
InChIKeyXPNDAJSOESFFTC-VOTSOKGWSA-N
MW210.13 g/mol
LogP1.00
Rot. Bonds5

About methyl 2-diazenyl-2-dimethoxyphosphorylacetate

methyl 2-diazenyl-2-dimethoxyphosphorylacetate (PubChem CID 174673364) has the molecular formula C5H11N2O5P and a molecular weight of 210.13 g/mol. Its IUPAC name is methyl 2-diazenyl-2-dimethoxyphosphorylacetate.

Molecular Properties

Compound Namemethyl 2-diazenyl-2-dimethoxyphosphorylacetate
PubChem CID174673364
Molecular FormulaC5H11N2O5P
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Namemethyl 2-diazenyl-2-dimethoxyphosphorylacetate
SMILES[H]/N=N/C(C(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C5H11N2O5P/c1-10-5(8)4(7-6)13(9,11-2)12-3/h4,6H,1-3H3/b7-6+
InChIKeyXPNDAJSOESFFTC-VOTSOKGWSA-N
XLogP1.00
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diazenyl-2-dimethoxyphosphorylacetate?
The IUPAC name of methyl 2-diazenyl-2-dimethoxyphosphorylacetate (CID 174673364) is methyl 2-diazenyl-2-dimethoxyphosphorylacetate.
What is the SMILES notation for methyl 2-diazenyl-2-dimethoxyphosphorylacetate?
The canonical SMILES for methyl 2-diazenyl-2-dimethoxyphosphorylacetate is [H]/N=N/C(C(=O)OC)P(=O)(OC)OC.
What is the InChIKey of methyl 2-diazenyl-2-dimethoxyphosphorylacetate?
The InChIKey is XPNDAJSOESFFTC-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H11N2O5P/c1-10-5(8)4(7-6)13(9,11-2)12-3/h4,6H,1-3H3/b7-6+.
What are the key properties of methyl 2-diazenyl-2-dimethoxyphosphorylacetate?
methyl 2-diazenyl-2-dimethoxyphosphorylacetate has a molecular weight of 210.13 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazenyl-2-dimethoxyphosphorylacetate is sourced from PubChem (CID 174673364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).