bis(methylcarbamoyl) propanedioate

C7H10N2O6 — CID 59344555

IUPACbis(methylcarbamoyl) propanedioate
SMILESCNC(=O)OC(=O)CC(=O)OC(=O)NC
InChIInChI=1S/C7H10N2O6/c1-8-6(12)14-4(10)3-5(11)15-7(13)9-2/h3H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyRVKQXNCZCAFFIA-UHFFFAOYSA-N
MW218.16 g/mol
LogP-0.86
Rot. Bonds2

About bis(methylcarbamoyl) propanedioate

bis(methylcarbamoyl) propanedioate (PubChem CID 59344555) has the molecular formula C7H10N2O6 and a molecular weight of 218.16 g/mol. Its IUPAC name is bis(methylcarbamoyl) propanedioate.

Molecular Properties

Compound Namebis(methylcarbamoyl) propanedioate
PubChem CID59344555
Molecular FormulaC7H10N2O6
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namebis(methylcarbamoyl) propanedioate
SMILESCNC(=O)OC(=O)CC(=O)OC(=O)NC
InChIInChI=1S/C7H10N2O6/c1-8-6(12)14-4(10)3-5(11)15-7(13)9-2/h3H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyRVKQXNCZCAFFIA-UHFFFAOYSA-N
XLogP-0.86
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(methylcarbamoyl) propanedioate 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 bis(methylcarbamoyl) propanedioate?
The IUPAC name of bis(methylcarbamoyl) propanedioate (CID 59344555) is bis(methylcarbamoyl) propanedioate.
What is the SMILES notation for bis(methylcarbamoyl) propanedioate?
The canonical SMILES for bis(methylcarbamoyl) propanedioate is CNC(=O)OC(=O)CC(=O)OC(=O)NC.
What is the InChIKey of bis(methylcarbamoyl) propanedioate?
The InChIKey is RVKQXNCZCAFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O6/c1-8-6(12)14-4(10)3-5(11)15-7(13)9-2/h3H2,1-2H3,(H,8,12)(H,9,13).
What are the key properties of bis(methylcarbamoyl) propanedioate?
bis(methylcarbamoyl) propanedioate has a molecular weight of 218.16 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylcarbamoyl) propanedioate is sourced from PubChem (CID 59344555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).