ethyl 2-acetamido-2-dimethoxyphosphorylacetate

C8H16NO6P — CID 66524865

IUPACethyl 2-acetamido-2-dimethoxyphosphorylacetate
SMILESCCOC(=O)C(NC(C)=O)P(=O)(OC)OC
InChIInChI=1S/C8H16NO6P/c1-5-15-8(11)7(9-6(2)10)16(12,13-3)14-4/h7H,5H2,1-4H3,(H,9,10)
InChIKeyVVUQLBMPSNBFPO-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.50
Rot. Bonds6

About ethyl 2-acetamido-2-dimethoxyphosphorylacetate

ethyl 2-acetamido-2-dimethoxyphosphorylacetate (PubChem CID 66524865) has the molecular formula C8H16NO6P and a molecular weight of 253.19 g/mol. Its IUPAC name is ethyl 2-acetamido-2-dimethoxyphosphorylacetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-dimethoxyphosphorylacetate
PubChem CID66524865
Molecular FormulaC8H16NO6P
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Nameethyl 2-acetamido-2-dimethoxyphosphorylacetate
SMILESCCOC(=O)C(NC(C)=O)P(=O)(OC)OC
InChIInChI=1S/C8H16NO6P/c1-5-15-8(11)7(9-6(2)10)16(12,13-3)14-4/h7H,5H2,1-4H3,(H,9,10)
InChIKeyVVUQLBMPSNBFPO-UHFFFAOYSA-N
XLogP0.50
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.50
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

methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464
ethyl (2S)-2-acetamidopropanoate
CID 11805045
2-O-ethyl 1-O,1-O-dimethyl 2-acetamidoethane-1,1,2-tricarboxylate
CID 134999943
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
CID 102237286
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070
ethyl 2-acetamido-2-[methoxy(methyl)amino]acetate
CID 14860700
ethyl 2-acetamido-2-chloroacetate
CID 44557246
diethyl 2-acetamidopropanedioate;diethyl 2-aminopropanedioate;hydrochloride
CID 159088657
N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 135086403
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687
ethyl (3E)-3-(carbamoylhydrazinylidene)-2-dimethoxyphosphorylbutanoate
CID 11323884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-dimethoxyphosphorylacetate?
The IUPAC name of ethyl 2-acetamido-2-dimethoxyphosphorylacetate (CID 66524865) is ethyl 2-acetamido-2-dimethoxyphosphorylacetate.
What is the SMILES notation for ethyl 2-acetamido-2-dimethoxyphosphorylacetate?
The canonical SMILES for ethyl 2-acetamido-2-dimethoxyphosphorylacetate is CCOC(=O)C(NC(C)=O)P(=O)(OC)OC.
What is the InChIKey of ethyl 2-acetamido-2-dimethoxyphosphorylacetate?
The InChIKey is VVUQLBMPSNBFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO6P/c1-5-15-8(11)7(9-6(2)10)16(12,13-3)14-4/h7H,5H2,1-4H3,(H,9,10).
What are the key properties of ethyl 2-acetamido-2-dimethoxyphosphorylacetate?
ethyl 2-acetamido-2-dimethoxyphosphorylacetate has a molecular weight of 253.19 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-dimethoxyphosphorylacetate is sourced from PubChem (CID 66524865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).