diethyl 2-acetamido-2-(2-oxoethyl)propanedioate

C11H17NO6 — CID 14787129

IUPACdiethyl 2-acetamido-2-(2-oxoethyl)propanedioate
SMILESCCOC(=O)C(CC=O)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C11H17NO6/c1-4-17-9(15)11(6-7-13,12-8(3)14)10(16)18-5-2/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyWYBSUCRXCMYEPR-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.42
Rot. Bonds7

About diethyl 2-acetamido-2-(2-oxoethyl)propanedioate

diethyl 2-acetamido-2-(2-oxoethyl)propanedioate (PubChem CID 14787129) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is diethyl 2-acetamido-2-(2-oxoethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-(2-oxoethyl)propanedioate
PubChem CID14787129
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Namediethyl 2-acetamido-2-(2-oxoethyl)propanedioate
SMILESCCOC(=O)C(CC=O)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C11H17NO6/c1-4-17-9(15)11(6-7-13,12-8(3)14)10(16)18-5-2/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyWYBSUCRXCMYEPR-UHFFFAOYSA-N
XLogP-0.42
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-(2-oxoethyl)propanedioate?
The IUPAC name of diethyl 2-acetamido-2-(2-oxoethyl)propanedioate (CID 14787129) is diethyl 2-acetamido-2-(2-oxoethyl)propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-(2-oxoethyl)propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-(2-oxoethyl)propanedioate is CCOC(=O)C(CC=O)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-(2-oxoethyl)propanedioate?
The InChIKey is WYBSUCRXCMYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c1-4-17-9(15)11(6-7-13,12-8(3)14)10(16)18-5-2/h7H,4-6H2,1-3H3,(H,12,14).
What are the key properties of diethyl 2-acetamido-2-(2-oxoethyl)propanedioate?
diethyl 2-acetamido-2-(2-oxoethyl)propanedioate has a molecular weight of 259.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-(2-oxoethyl)propanedioate is sourced from PubChem (CID 14787129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).