2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid

C11H10Cl2N2O5 — CID 54547211

IUPAC2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CON=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O5/c12-8-2-1-3-9(13)7(8)4-14-19-5-10(16)15-20-6-11(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyZHJAAQUQDSQGJK-UHFFFAOYSA-N
MW321.12 g/mol
LogP1.48
Rot. Bonds7

About 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid

2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid (PubChem CID 54547211) has the molecular formula C11H10Cl2N2O5 and a molecular weight of 321.12 g/mol. Its IUPAC name is 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
PubChem CID54547211
Molecular FormulaC11H10Cl2N2O5
Molecular Weight321.12 g/mol
Exact Mass320.00
IUPAC Name2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CON=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O5/c12-8-2-1-3-9(13)7(8)4-14-19-5-10(16)15-20-6-11(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyZHJAAQUQDSQGJK-UHFFFAOYSA-N
XLogP1.48
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
CID 13269393
2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
CID 57192756
[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
CID 173431791
2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
CID 88522933
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701233
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
CID 86120715
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
2-[(E)-(3-chloro-4-fluorophenyl)methylideneamino]oxyacetic acid
CID 81159898
4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11174345

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid (CID 54547211) is 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid is O=C(O)CONC(=O)CON=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid?
The InChIKey is ZHJAAQUQDSQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O5/c12-8-2-1-3-9(13)7(8)4-14-19-5-10(16)15-20-6-11(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid?
2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid has a molecular weight of 321.12 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid is sourced from PubChem (CID 54547211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).