2-methoxyiminopropanoic acid;zinc

C4H7NO3Zn — CID 174796491

IUPAC2-methoxyiminopropanoic acid;zinc
SMILESCON=C(C)C(=O)O.[Zn]
InChIInChI=1S/C4H7NO3.Zn/c1-3(4(6)7)5-8-2;/h1-2H3,(H,6,7);
InChIKeyIXUDIZQFOBAFPV-UHFFFAOYSA-N
MW182.49 g/mol
LogP0.09
Rot. Bonds2

About 2-methoxyiminopropanoic acid;zinc

2-methoxyiminopropanoic acid;zinc (PubChem CID 174796491) has the molecular formula C4H7NO3Zn and a molecular weight of 182.49 g/mol. Its IUPAC name is 2-methoxyiminopropanoic acid;zinc.

Molecular Properties

Compound Name2-methoxyiminopropanoic acid;zinc
PubChem CID174796491
Molecular FormulaC4H7NO3Zn
Molecular Weight182.49 g/mol
Exact Mass180.97
IUPAC Name2-methoxyiminopropanoic acid;zinc
SMILESCON=C(C)C(=O)O.[Zn]
InChIInChI=1S/C4H7NO3.Zn/c1-3(4(6)7)5-8-2;/h1-2H3,(H,6,7);
InChIKeyIXUDIZQFOBAFPV-UHFFFAOYSA-N
XLogP0.09
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.49
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-methoxyiminopropanoic acid;zinc?
The IUPAC name of 2-methoxyiminopropanoic acid;zinc (CID 174796491) is 2-methoxyiminopropanoic acid;zinc.
What is the SMILES notation for 2-methoxyiminopropanoic acid;zinc?
The canonical SMILES for 2-methoxyiminopropanoic acid;zinc is CON=C(C)C(=O)O.[Zn].
What is the InChIKey of 2-methoxyiminopropanoic acid;zinc?
The InChIKey is IXUDIZQFOBAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.Zn/c1-3(4(6)7)5-8-2;/h1-2H3,(H,6,7);.
What are the key properties of 2-methoxyiminopropanoic acid;zinc?
2-methoxyiminopropanoic acid;zinc has a molecular weight of 182.49 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminopropanoic acid;zinc is sourced from PubChem (CID 174796491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).