(2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid

C14H19NO6 — CID 20501520

IUPAC(2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
SMILESCC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1ccco1
InChIInChI=1S/C14H19NO6/c1-13(2,3)20-12(18)14(4,5)21-15-10(11(16)17)9-7-6-8-19-9/h6-8H,1-5H3,(H,16,17)/b15-10-
InChIKeyXXYOXWNGBUSXJC-GDNBJRDFSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds5

About (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid

(2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid (PubChem CID 20501520) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
PubChem CID20501520
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
SMILESCC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1ccco1
InChIInChI=1S/C14H19NO6/c1-13(2,3)20-12(18)14(4,5)21-15-10(11(16)17)9-7-6-8-19-9/h6-8H,1-5H3,(H,16,17)/b15-10-
InChIKeyXXYOXWNGBUSXJC-GDNBJRDFSA-N
XLogP2.21
TPSA98.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
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 (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid?
The IUPAC name of (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid (CID 20501520) is (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid is CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1ccco1.
What is the InChIKey of (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid?
The InChIKey is XXYOXWNGBUSXJC-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H19NO6/c1-13(2,3)20-12(18)14(4,5)21-15-10(11(16)17)9-7-6-8-19-9/h6-8H,1-5H3,(H,16,17)/b15-10-.
What are the key properties of (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid?
(2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid has a molecular weight of 297.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(furan-2-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid is sourced from PubChem (CID 20501520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).