2-diethoxyphosphorylacetyl azide

C6H12N3O4P — CID 59835448

IUPAC2-diethoxyphosphorylacetyl azide
SMILESCCOP(=O)(CC(=O)N=[N+]=[N-])OCC
InChIInChI=1S/C6H12N3O4P/c1-3-12-14(11,13-4-2)5-6(10)8-9-7/h3-5H2,1-2H3
InChIKeyJDLGLEQIADMIFL-UHFFFAOYSA-N
MW221.15 g/mol
LogP2.09
Rot. Bonds6

About 2-diethoxyphosphorylacetyl azide

2-diethoxyphosphorylacetyl azide (PubChem CID 59835448) has the molecular formula C6H12N3O4P and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-diethoxyphosphorylacetyl azide.

Molecular Properties

Compound Name2-diethoxyphosphorylacetyl azide
PubChem CID59835448
Molecular FormulaC6H12N3O4P
Molecular Weight221.15 g/mol
Exact Mass221.06
IUPAC Name2-diethoxyphosphorylacetyl azide
SMILESCCOP(=O)(CC(=O)N=[N+]=[N-])OCC
InChIInChI=1S/C6H12N3O4P/c1-3-12-14(11,13-4-2)5-6(10)8-9-7/h3-5H2,1-2H3
InChIKeyJDLGLEQIADMIFL-UHFFFAOYSA-N
XLogP2.09
TPSA101.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
ethyl 2-diethoxyphosphorylacetate
CID 10911236
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
1-azido-3-diethoxyphosphorylpropane
CID 10867835
2-diethoxyphosphoryl-1-pyrrol-1-ylethanone
CID 89488126
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490
1-diethoxyphosphoryl-3-ethoxypropan-2-one
CID 23262182
3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 14941296
2-(diethoxyphosphorylmethyl)prop-2-enenitrile
CID 10655750
(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine
CID 129409647
1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-diethoxyphosphorylethanone
CID 129130905
3-diethoxyphosphoryl-1-pyrrolidin-1-ylpropane-1,2-dione
CID 15213142

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylacetyl azide?
The IUPAC name of 2-diethoxyphosphorylacetyl azide (CID 59835448) is 2-diethoxyphosphorylacetyl azide.
What is the SMILES notation for 2-diethoxyphosphorylacetyl azide?
The canonical SMILES for 2-diethoxyphosphorylacetyl azide is CCOP(=O)(CC(=O)N=[N+]=[N-])OCC.
What is the InChIKey of 2-diethoxyphosphorylacetyl azide?
The InChIKey is JDLGLEQIADMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3O4P/c1-3-12-14(11,13-4-2)5-6(10)8-9-7/h3-5H2,1-2H3.
What are the key properties of 2-diethoxyphosphorylacetyl azide?
2-diethoxyphosphorylacetyl azide has a molecular weight of 221.15 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylacetyl azide is sourced from PubChem (CID 59835448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).