2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid

C4H6N2O4 — CID 135966152

IUPAC2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C/C=N/O
InChIInChI=1S/C4H6N2O4/c7-4(8)3-10-6-2-1-5-9/h1-2,9H,3H2,(H,7,8)/b5-1+,6-2+
InChIKeyGIQKBCJOUVUHIH-IJIVKGSJSA-N
MW146.10 g/mol
LogP-0.47
Rot. Bonds4

About 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid

2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid (PubChem CID 135966152) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid
PubChem CID135966152
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C/C=N/O
InChIInChI=1S/C4H6N2O4/c7-4(8)3-10-6-2-1-5-9/h1-2,9H,3H2,(H,7,8)/b5-1+,6-2+
InChIKeyGIQKBCJOUVUHIH-IJIVKGSJSA-N
XLogP-0.47
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-oxoethylidene)amino]oxyacetic acid
CID 56609597
2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid
CID 143400941
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
cobalt;(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine
CID 174050213
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
2-[(5-methylfuran-2-yl)methylideneamino]oxyacetic acid
CID 77013391
2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
CID 104823667
2-[(3,5,6-trihydroxy-2,4-dimethylhexylidene)amino]oxyacetic acid
CID 123356072
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
CID 77013496
2-(pyrimidin-4-ylmethylideneamino)oxyacetic acid
CID 77014531
2-[2-(carboxymethoxy)ethenoxy]acetic acid
CID 91328035

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid?
The IUPAC name of 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid (CID 135966152) is 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid is O=C(O)CO/N=C/C=N/O.
What is the InChIKey of 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid?
The InChIKey is GIQKBCJOUVUHIH-IJIVKGSJSA-N. The full InChI is InChI=1S/C4H6N2O4/c7-4(8)3-10-6-2-1-5-9/h1-2,9H,3H2,(H,7,8)/b5-1+,6-2+.
What are the key properties of 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid?
2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid has a molecular weight of 146.10 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid is sourced from PubChem (CID 135966152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).