methyl 2-acetamido-2-diethoxyphosphorylacetate

C9H18NO6P — CID 19013464

IUPACmethyl 2-acetamido-2-diethoxyphosphorylacetate
SMILESCCOP(=O)(OCC)C(NC(C)=O)C(=O)OC
InChIInChI=1S/C9H18NO6P/c1-5-15-17(13,16-6-2)8(9(12)14-4)10-7(3)11/h8H,5-6H2,1-4H3,(H,10,11)
InChIKeyBVVVTHBAJOOANW-UHFFFAOYSA-N
MW267.22 g/mol
LogP0.89
Rot. Bonds7

About methyl 2-acetamido-2-diethoxyphosphorylacetate

methyl 2-acetamido-2-diethoxyphosphorylacetate (PubChem CID 19013464) has the molecular formula C9H18NO6P and a molecular weight of 267.22 g/mol. Its IUPAC name is methyl 2-acetamido-2-diethoxyphosphorylacetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-diethoxyphosphorylacetate
PubChem CID19013464
Molecular FormulaC9H18NO6P
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-acetamido-2-diethoxyphosphorylacetate
SMILESCCOP(=O)(OCC)C(NC(C)=O)C(=O)OC
InChIInChI=1S/C9H18NO6P/c1-5-15-17(13,16-6-2)8(9(12)14-4)10-7(3)11/h8H,5-6H2,1-4H3,(H,10,11)
InChIKeyBVVVTHBAJOOANW-UHFFFAOYSA-N
XLogP0.89
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-diethoxyphosphorylacetate?
The IUPAC name of methyl 2-acetamido-2-diethoxyphosphorylacetate (CID 19013464) is methyl 2-acetamido-2-diethoxyphosphorylacetate.
What is the SMILES notation for methyl 2-acetamido-2-diethoxyphosphorylacetate?
The canonical SMILES for methyl 2-acetamido-2-diethoxyphosphorylacetate is CCOP(=O)(OCC)C(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-2-diethoxyphosphorylacetate?
The InChIKey is BVVVTHBAJOOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO6P/c1-5-15-17(13,16-6-2)8(9(12)14-4)10-7(3)11/h8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of methyl 2-acetamido-2-diethoxyphosphorylacetate?
methyl 2-acetamido-2-diethoxyphosphorylacetate has a molecular weight of 267.22 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-diethoxyphosphorylacetate is sourced from PubChem (CID 19013464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).