[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate

C11H10Cl2N2O5 — CID 173431791

IUPAC[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
SMILESNOCC(=O)OC(=O)CON=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O5/c12-8-2-1-3-9(13)7(8)4-15-19-6-11(17)20-10(16)5-18-14/h1-4H,5-6,14H2
InChIKeyOVVHJSJIJDRXCV-UHFFFAOYSA-N
MW321.12 g/mol
LogP1.30
Rot. Bonds6

About [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate

[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate (PubChem CID 173431791) has the molecular formula C11H10Cl2N2O5 and a molecular weight of 321.12 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
PubChem CID173431791
Molecular FormulaC11H10Cl2N2O5
Molecular Weight321.12 g/mol
Exact Mass320.00
IUPAC Name[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
SMILESNOCC(=O)OC(=O)CON=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O5/c12-8-2-1-3-9(13)7(8)4-15-19-6-11(17)20-10(16)5-18-14/h1-4H,5-6,14H2
InChIKeyOVVHJSJIJDRXCV-UHFFFAOYSA-N
XLogP1.30
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate?
The IUPAC name of [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate (CID 173431791) is [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate is NOCC(=O)OC(=O)CON=Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate?
The InChIKey is OVVHJSJIJDRXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O5/c12-8-2-1-3-9(13)7(8)4-15-19-6-11(17)20-10(16)5-18-14/h1-4H,5-6,14H2.
What are the key properties of [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate?
[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate has a molecular weight of 321.12 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate is sourced from PubChem (CID 173431791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).