dimethyl 2-acetyloxyiminopropanedioate

C7H9NO6 — CID 10262284

IUPACdimethyl 2-acetyloxyiminopropanedioate
SMILESCOC(=O)C(=NOC(C)=O)C(=O)OC
InChIInChI=1S/C7H9NO6/c1-4(9)14-8-5(6(10)12-2)7(11)13-3/h1-3H3
InChIKeyLSLWWVFDGVQPFL-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.75
Rot. Bonds3

About dimethyl 2-acetyloxyiminopropanedioate

dimethyl 2-acetyloxyiminopropanedioate (PubChem CID 10262284) has the molecular formula C7H9NO6 and a molecular weight of 203.15 g/mol. Its IUPAC name is dimethyl 2-acetyloxyiminopropanedioate.

Molecular Properties

Compound Namedimethyl 2-acetyloxyiminopropanedioate
PubChem CID10262284
Molecular FormulaC7H9NO6
Molecular Weight203.15 g/mol
Exact Mass203.04
IUPAC Namedimethyl 2-acetyloxyiminopropanedioate
SMILESCOC(=O)C(=NOC(C)=O)C(=O)OC
InChIInChI=1S/C7H9NO6/c1-4(9)14-8-5(6(10)12-2)7(11)13-3/h1-3H3
InChIKeyLSLWWVFDGVQPFL-UHFFFAOYSA-N
XLogP-0.75
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dimethyl 2-acetyloxyiminopropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-acetyloxyiminopropanedioate?
The IUPAC name of dimethyl 2-acetyloxyiminopropanedioate (CID 10262284) is dimethyl 2-acetyloxyiminopropanedioate.
What is the SMILES notation for dimethyl 2-acetyloxyiminopropanedioate?
The canonical SMILES for dimethyl 2-acetyloxyiminopropanedioate is COC(=O)C(=NOC(C)=O)C(=O)OC.
What is the InChIKey of dimethyl 2-acetyloxyiminopropanedioate?
The InChIKey is LSLWWVFDGVQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO6/c1-4(9)14-8-5(6(10)12-2)7(11)13-3/h1-3H3.
What are the key properties of dimethyl 2-acetyloxyiminopropanedioate?
dimethyl 2-acetyloxyiminopropanedioate has a molecular weight of 203.15 g/mol, XLogP of -0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-acetyloxyiminopropanedioate is sourced from PubChem (CID 10262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).