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

C11H10Cl2N2O4 — CID 13269393

IUPAC2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CO/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O4/c12-8-2-1-3-9(13)7(8)4-15-19-6-10(16)14-5-11(17)18/h1-4H,5-6H2,(H,14,16)(H,17,18)/b15-4+
InChIKeyKPCVCWBWGBPRLM-SYZQJQIISA-N
MW305.12 g/mol
LogP1.54
Rot. Bonds6

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

2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid (PubChem CID 13269393) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
PubChem CID13269393
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CO/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O4/c12-8-2-1-3-9(13)7(8)4-15-19-6-10(16)14-5-11(17)18/h1-4H,5-6H2,(H,14,16)(H,17,18)/b15-4+
InChIKeyKPCVCWBWGBPRLM-SYZQJQIISA-N
XLogP1.54
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
CID 54547211
2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
CID 57192756
[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
CID 173431791
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701233
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
CID 88522933
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7701446
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11174345
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid (CID 13269393) is 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid is O=C(O)CNC(=O)CO/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid?
The InChIKey is KPCVCWBWGBPRLM-SYZQJQIISA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c12-8-2-1-3-9(13)7(8)4-15-19-6-10(16)14-5-11(17)18/h1-4H,5-6H2,(H,14,16)(H,17,18)/b15-4+.
What are the key properties of 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid?
2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid has a molecular weight of 305.12 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid is sourced from PubChem (CID 13269393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).