methyl 2-diazo-2-diethoxyphosphorylacetate

C7H13N2O5P — CID 85435808

IUPACmethyl 2-diazo-2-diethoxyphosphorylacetate
SMILESCCOP(=O)(OCC)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C7H13N2O5P/c1-4-13-15(11,14-5-2)6(9-8)7(10)12-3/h4-5H2,1-3H3
InChIKeyLLRDVNFNPAGTSW-UHFFFAOYSA-N
MW236.16 g/mol
LogP1.05
Rot. Bonds6

About methyl 2-diazo-2-diethoxyphosphorylacetate

methyl 2-diazo-2-diethoxyphosphorylacetate (PubChem CID 85435808) has the molecular formula C7H13N2O5P and a molecular weight of 236.16 g/mol. Its IUPAC name is methyl 2-diazo-2-diethoxyphosphorylacetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-diethoxyphosphorylacetate
PubChem CID85435808
Molecular FormulaC7H13N2O5P
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Namemethyl 2-diazo-2-diethoxyphosphorylacetate
SMILESCCOP(=O)(OCC)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C7H13N2O5P/c1-4-13-15(11,14-5-2)6(9-8)7(10)12-3/h4-5H2,1-3H3
InChIKeyLLRDVNFNPAGTSW-UHFFFAOYSA-N
XLogP1.05
TPSA98.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[[diazo(ethylsulfonyl)methyl]-ethoxyphosphoryl]oxyethane
CID 126586567
bis(diethoxyphosphoryl)methanimine
CID 87803281
methyl (E)-2-(C-diethoxyphosphorylcarbonimidoyl)-3-hydroxy-3-methoxyprop-2-enoate
CID 135504669
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
2-diazo-2-[methoxy(2-phenylethoxy)phosphoryl]acetic acid
CID 136929366
methyl 2-[diethoxyphosphoryl(difluoro)methyl]prop-2-enoate
CID 10778546
2-diethoxyphosphorylprop-2-enal
CID 10888762
diethoxyphosphoryl-(2,4,6-trichloro-3-diethoxyphosphorylcarbonylphenyl)methanone
CID 57299961
methyl 2-diazo-2-(2-ethoxyphenyl)acetate
CID 101119436
1-diazo-1-dimethoxyphosphoryldec-5-yne-2,4-dione
CID 164687172

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-diethoxyphosphorylacetate?
The IUPAC name of methyl 2-diazo-2-diethoxyphosphorylacetate (CID 85435808) is methyl 2-diazo-2-diethoxyphosphorylacetate.
What is the SMILES notation for methyl 2-diazo-2-diethoxyphosphorylacetate?
The canonical SMILES for methyl 2-diazo-2-diethoxyphosphorylacetate is CCOP(=O)(OCC)C(=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-diazo-2-diethoxyphosphorylacetate?
The InChIKey is LLRDVNFNPAGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O5P/c1-4-13-15(11,14-5-2)6(9-8)7(10)12-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-diazo-2-diethoxyphosphorylacetate?
methyl 2-diazo-2-diethoxyphosphorylacetate has a molecular weight of 236.16 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-diethoxyphosphorylacetate is sourced from PubChem (CID 85435808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).