3-methoxyiminopropanoic acid

C4H7NO3 — CID 87395209

IUPAC3-methoxyiminopropanoic acid
SMILESCON=CCC(=O)O
InChIInChI=1S/C4H7NO3/c1-8-5-3-2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyFAKDDTNJQJEUQA-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.09
Rot. Bonds3

About 3-methoxyiminopropanoic acid

3-methoxyiminopropanoic acid (PubChem CID 87395209) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 3-methoxyiminopropanoic acid.

Molecular Properties

Compound Name3-methoxyiminopropanoic acid
PubChem CID87395209
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3-methoxyiminopropanoic acid
SMILESCON=CCC(=O)O
InChIInChI=1S/C4H7NO3/c1-8-5-3-2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyFAKDDTNJQJEUQA-UHFFFAOYSA-N
XLogP0.09
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.09
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-methoxyiminopropanoic acid?
The IUPAC name of 3-methoxyiminopropanoic acid (CID 87395209) is 3-methoxyiminopropanoic acid.
What is the SMILES notation for 3-methoxyiminopropanoic acid?
The canonical SMILES for 3-methoxyiminopropanoic acid is CON=CCC(=O)O.
What is the InChIKey of 3-methoxyiminopropanoic acid?
The InChIKey is FAKDDTNJQJEUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-8-5-3-2-4(6)7/h3H,2H2,1H3,(H,6,7).
What are the key properties of 3-methoxyiminopropanoic acid?
3-methoxyiminopropanoic acid has a molecular weight of 117.10 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyiminopropanoic acid is sourced from PubChem (CID 87395209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).