2-dimethoxyphosphorylethyl 2-acetamidoacetate

C8H16NO6P — CID 3073812

IUPAC2-dimethoxyphosphorylethyl 2-acetamidoacetate
SMILESCOP(=O)(CCOC(=O)CNC(C)=O)OC
InChIInChI=1S/C8H16NO6P/c1-7(10)9-6-8(11)15-4-5-16(12,13-2)14-3/h4-6H2,1-3H3,(H,9,10)
InChIKeyCBHXIQBYFWYZBB-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.15
Rot. Bonds7

About 2-dimethoxyphosphorylethyl 2-acetamidoacetate

2-dimethoxyphosphorylethyl 2-acetamidoacetate (PubChem CID 3073812) has the molecular formula C8H16NO6P and a molecular weight of 253.19 g/mol. Its IUPAC name is 2-dimethoxyphosphorylethyl 2-acetamidoacetate.

Molecular Properties

Compound Name2-dimethoxyphosphorylethyl 2-acetamidoacetate
PubChem CID3073812
Molecular FormulaC8H16NO6P
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Name2-dimethoxyphosphorylethyl 2-acetamidoacetate
SMILESCOP(=O)(CCOC(=O)CNC(C)=O)OC
InChIInChI=1S/C8H16NO6P/c1-7(10)9-6-8(11)15-4-5-16(12,13-2)14-3/h4-6H2,1-3H3,(H,9,10)
InChIKeyCBHXIQBYFWYZBB-UHFFFAOYSA-N
XLogP0.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-dimethoxyphosphorylpropyl 4-acetamidobutanoate
CID 3076695
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
prop-2-ynyl 2-acetamidoacetate
CID 131210561
2-dimethoxyphosphorylethyl benzoate
CID 174516392
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
2-acetamidoethyl propanoate
CID 54208768
benzyl 4-(2-acetamidoacetyl)oxybutanoate
CID 126720868
2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
CID 59464765
5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
CID 58849456

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphorylethyl 2-acetamidoacetate?
The IUPAC name of 2-dimethoxyphosphorylethyl 2-acetamidoacetate (CID 3073812) is 2-dimethoxyphosphorylethyl 2-acetamidoacetate.
What is the SMILES notation for 2-dimethoxyphosphorylethyl 2-acetamidoacetate?
The canonical SMILES for 2-dimethoxyphosphorylethyl 2-acetamidoacetate is COP(=O)(CCOC(=O)CNC(C)=O)OC.
What is the InChIKey of 2-dimethoxyphosphorylethyl 2-acetamidoacetate?
The InChIKey is CBHXIQBYFWYZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO6P/c1-7(10)9-6-8(11)15-4-5-16(12,13-2)14-3/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-dimethoxyphosphorylethyl 2-acetamidoacetate?
2-dimethoxyphosphorylethyl 2-acetamidoacetate has a molecular weight of 253.19 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylethyl 2-acetamidoacetate is sourced from PubChem (CID 3073812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).