2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid

C12H15NO6 — CID 54243329

IUPAC2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
SMILESCC(C)(C)OC(=O)CON=C(C(=O)O)c1ccco1
InChIInChI=1S/C12H15NO6/c1-12(2,3)19-9(14)7-18-13-10(11(15)16)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyQRNIMLMZOWZXRW-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.43
Rot. Bonds5

About 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid

2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid (PubChem CID 54243329) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
PubChem CID54243329
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
SMILESCC(C)(C)OC(=O)CON=C(C(=O)O)c1ccco1
InChIInChI=1S/C12H15NO6/c1-12(2,3)19-9(14)7-18-13-10(11(15)16)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyQRNIMLMZOWZXRW-UHFFFAOYSA-N
XLogP1.43
TPSA98.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid?
The IUPAC name of 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid (CID 54243329) is 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid?
The canonical SMILES for 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid is CC(C)(C)OC(=O)CON=C(C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid?
The InChIKey is QRNIMLMZOWZXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-12(2,3)19-9(14)7-18-13-10(11(15)16)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid?
2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid has a molecular weight of 269.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid is sourced from PubChem (CID 54243329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).