dimethyl 2-(dimethylcarbamoyl)propanedioate

C8H13NO5 — CID 101199255

IUPACdimethyl 2-(dimethylcarbamoyl)propanedioate
SMILESCOC(=O)C(C(=O)OC)C(=O)N(C)C
InChIInChI=1S/C8H13NO5/c1-9(2)6(10)5(7(11)13-3)8(12)14-4/h5H,1-4H3
InChIKeyGDZPCTXSJDDTTR-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.96
Rot. Bonds3

About dimethyl 2-(dimethylcarbamoyl)propanedioate

dimethyl 2-(dimethylcarbamoyl)propanedioate (PubChem CID 101199255) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is dimethyl 2-(dimethylcarbamoyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(dimethylcarbamoyl)propanedioate
PubChem CID101199255
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namedimethyl 2-(dimethylcarbamoyl)propanedioate
SMILESCOC(=O)C(C(=O)OC)C(=O)N(C)C
InChIInChI=1S/C8H13NO5/c1-9(2)6(10)5(7(11)13-3)8(12)14-4/h5H,1-4H3
InChIKeyGDZPCTXSJDDTTR-UHFFFAOYSA-N
XLogP-0.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
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 dimethyl 2-(dimethylcarbamoyl)propanedioate?
The IUPAC name of dimethyl 2-(dimethylcarbamoyl)propanedioate (CID 101199255) is dimethyl 2-(dimethylcarbamoyl)propanedioate.
What is the SMILES notation for dimethyl 2-(dimethylcarbamoyl)propanedioate?
The canonical SMILES for dimethyl 2-(dimethylcarbamoyl)propanedioate is COC(=O)C(C(=O)OC)C(=O)N(C)C.
What is the InChIKey of dimethyl 2-(dimethylcarbamoyl)propanedioate?
The InChIKey is GDZPCTXSJDDTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-9(2)6(10)5(7(11)13-3)8(12)14-4/h5H,1-4H3.
What are the key properties of dimethyl 2-(dimethylcarbamoyl)propanedioate?
dimethyl 2-(dimethylcarbamoyl)propanedioate has a molecular weight of 203.19 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(dimethylcarbamoyl)propanedioate is sourced from PubChem (CID 101199255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).