(2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid

C15H19NO6 — CID 20501549

IUPAC(2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid
SMILESCC(C)(C)OC(=O)C1(O/N=C(\C(=O)O)c2ccco2)CCC1
InChIInChI=1S/C15H19NO6/c1-14(2,3)21-13(19)15(7-5-8-15)22-16-11(12(17)18)10-6-4-9-20-10/h4,6,9H,5,7-8H2,1-3H3,(H,17,18)/b16-11-
InChIKeyRRIAURDIKMSVKH-WJDWOHSUSA-N
MW309.32 g/mol
LogP2.35
Rot. Bonds5

About (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid

(2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid (PubChem CID 20501549) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid
PubChem CID20501549
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid
SMILESCC(C)(C)OC(=O)C1(O/N=C(\C(=O)O)c2ccco2)CCC1
InChIInChI=1S/C15H19NO6/c1-14(2,3)21-13(19)15(7-5-8-15)22-16-11(12(17)18)10-6-4-9-20-10/h4,6,9H,5,7-8H2,1-3H3,(H,17,18)/b16-11-
InChIKeyRRIAURDIKMSVKH-WJDWOHSUSA-N
XLogP2.35
TPSA98.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.35
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'}

Analyze (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid?
The IUPAC name of (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid (CID 20501549) is (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid is CC(C)(C)OC(=O)C1(O/N=C(\C(=O)O)c2ccco2)CCC1.
What is the InChIKey of (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid?
The InChIKey is RRIAURDIKMSVKH-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H19NO6/c1-14(2,3)21-13(19)15(7-5-8-15)22-16-11(12(17)18)10-6-4-9-20-10/h4,6,9H,5,7-8H2,1-3H3,(H,17,18)/b16-11-.
What are the key properties of (2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid?
(2Z)-2-(furan-2-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid has a molecular weight of 309.32 g/mol, XLogP of 2.35, 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-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyiminoacetic acid is sourced from PubChem (CID 20501549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).