3-methoxyimino-2-methylpropanoic acid

C5H9NO3 — CID 143039896

IUPAC3-methoxyimino-2-methylpropanoic acid
SMILESCON=CC(C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(5(7)8)3-6-9-2/h3-4H,1-2H3,(H,7,8)
InChIKeyQAFVDNKSUYSMMY-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.34
Rot. Bonds3

About 3-methoxyimino-2-methylpropanoic acid

3-methoxyimino-2-methylpropanoic acid (PubChem CID 143039896) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 3-methoxyimino-2-methylpropanoic acid.

Molecular Properties

Compound Name3-methoxyimino-2-methylpropanoic acid
PubChem CID143039896
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name3-methoxyimino-2-methylpropanoic acid
SMILESCON=CC(C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(5(7)8)3-6-9-2/h3-4H,1-2H3,(H,7,8)
InChIKeyQAFVDNKSUYSMMY-UHFFFAOYSA-N
XLogP0.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methoxyimino-2-methylpropanoic acid?
The IUPAC name of 3-methoxyimino-2-methylpropanoic acid (CID 143039896) is 3-methoxyimino-2-methylpropanoic acid.
What is the SMILES notation for 3-methoxyimino-2-methylpropanoic acid?
The canonical SMILES for 3-methoxyimino-2-methylpropanoic acid is CON=CC(C)C(=O)O.
What is the InChIKey of 3-methoxyimino-2-methylpropanoic acid?
The InChIKey is QAFVDNKSUYSMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(5(7)8)3-6-9-2/h3-4H,1-2H3,(H,7,8).
What are the key properties of 3-methoxyimino-2-methylpropanoic acid?
3-methoxyimino-2-methylpropanoic acid has a molecular weight of 131.13 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyimino-2-methylpropanoic acid is sourced from PubChem (CID 143039896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).