2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid

C7H11NO5 — CID 88615209

IUPAC2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid
SMILESCC(C)(C)ON=C(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO5/c1-7(2,3)13-8-4(5(9)10)6(11)12/h1-3H3,(H,9,10)(H,11,12)
InChIKeyVNIPLXSEXZKLDT-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.33
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid

2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid (PubChem CID 88615209) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid
PubChem CID88615209
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid
SMILESCC(C)(C)ON=C(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO5/c1-7(2,3)13-8-4(5(9)10)6(11)12/h1-3H3,(H,9,10)(H,11,12)
InChIKeyVNIPLXSEXZKLDT-UHFFFAOYSA-N
XLogP0.33
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-[(2-methylpropan-2-yl)oxyimino]propanedioic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid (CID 88615209) is 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid is CC(C)(C)ON=C(C(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid?
The InChIKey is VNIPLXSEXZKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-7(2,3)13-8-4(5(9)10)6(11)12/h1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid?
2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid has a molecular weight of 189.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid is sourced from PubChem (CID 88615209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).