dimethyl 2-methoxyiminobutanedioate

C7H11NO5 — CID 547984

IUPACdimethyl 2-methoxyiminobutanedioate
SMILESCON=C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-6(9)4-5(8-13-3)7(10)12-2/h4H2,1-3H3
InChIKeyGSKVVYOLQYQBPB-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.28
Rot. Bonds4

About dimethyl 2-methoxyiminobutanedioate

dimethyl 2-methoxyiminobutanedioate (PubChem CID 547984) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is dimethyl 2-methoxyiminobutanedioate.

Molecular Properties

Compound Namedimethyl 2-methoxyiminobutanedioate
PubChem CID547984
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Namedimethyl 2-methoxyiminobutanedioate
SMILESCON=C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-6(9)4-5(8-13-3)7(10)12-2/h4H2,1-3H3
InChIKeyGSKVVYOLQYQBPB-UHFFFAOYSA-N
XLogP-0.28
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxyiminobutanedioate?
The IUPAC name of dimethyl 2-methoxyiminobutanedioate (CID 547984) is dimethyl 2-methoxyiminobutanedioate.
What is the SMILES notation for dimethyl 2-methoxyiminobutanedioate?
The canonical SMILES for dimethyl 2-methoxyiminobutanedioate is CON=C(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxyiminobutanedioate?
The InChIKey is GSKVVYOLQYQBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-11-6(9)4-5(8-13-3)7(10)12-2/h4H2,1-3H3.
What are the key properties of dimethyl 2-methoxyiminobutanedioate?
dimethyl 2-methoxyiminobutanedioate has a molecular weight of 189.17 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxyiminobutanedioate is sourced from PubChem (CID 547984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).