diethyl 2-acetamido-2-methylpropanedioate

C10H17NO5 — CID 575660

IUPACdiethyl 2-acetamido-2-methylpropanedioate
SMILESCCOC(=O)C(C)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C10H17NO5/c1-5-15-8(13)10(4,11-7(3)12)9(14)16-6-2/h5-6H2,1-4H3,(H,11,12)
InChIKeyXRIXXWKUETUCIS-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.01
Rot. Bonds5

About diethyl 2-acetamido-2-methylpropanedioate

diethyl 2-acetamido-2-methylpropanedioate (PubChem CID 575660) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is diethyl 2-acetamido-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-methylpropanedioate
PubChem CID575660
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namediethyl 2-acetamido-2-methylpropanedioate
SMILESCCOC(=O)C(C)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C10H17NO5/c1-5-15-8(13)10(4,11-7(3)12)9(14)16-6-2/h5-6H2,1-4H3,(H,11,12)
InChIKeyXRIXXWKUETUCIS-UHFFFAOYSA-N
XLogP0.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methylpropanedioate?
The IUPAC name of diethyl 2-acetamido-2-methylpropanedioate (CID 575660) is diethyl 2-acetamido-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-methylpropanedioate?
The canonical SMILES for diethyl 2-acetamido-2-methylpropanedioate is CCOC(=O)C(C)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-methylpropanedioate?
The InChIKey is XRIXXWKUETUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5-15-8(13)10(4,11-7(3)12)9(14)16-6-2/h5-6H2,1-4H3,(H,11,12).
What are the key properties of diethyl 2-acetamido-2-methylpropanedioate?
diethyl 2-acetamido-2-methylpropanedioate has a molecular weight of 231.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-methylpropanedioate is sourced from PubChem (CID 575660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).