(2E)-2-ethoxyiminobutanoic acid

C6H11NO3 — CID 6180402

IUPAC(2E)-2-ethoxyiminobutanoic acid
SMILESCCO/N=C(\CC)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-5(6(8)9)7-10-4-2/h3-4H2,1-2H3,(H,8,9)/b7-5+
InChIKeyHAJAJHOUACEHHI-FNORWQNLSA-N
MW145.16 g/mol
LogP0.87
Rot. Bonds4

About (2E)-2-ethoxyiminobutanoic acid

(2E)-2-ethoxyiminobutanoic acid (PubChem CID 6180402) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2E)-2-ethoxyiminobutanoic acid.

Molecular Properties

Compound Name(2E)-2-ethoxyiminobutanoic acid
PubChem CID6180402
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2E)-2-ethoxyiminobutanoic acid
SMILESCCO/N=C(\CC)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-5(6(8)9)7-10-4-2/h3-4H2,1-2H3,(H,8,9)/b7-5+
InChIKeyHAJAJHOUACEHHI-FNORWQNLSA-N
XLogP0.87
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.87
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'}

Analyze (2E)-2-ethoxyiminobutanoic 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 (2E)-2-ethoxyiminobutanoic acid?
The IUPAC name of (2E)-2-ethoxyiminobutanoic acid (CID 6180402) is (2E)-2-ethoxyiminobutanoic acid.
What is the SMILES notation for (2E)-2-ethoxyiminobutanoic acid?
The canonical SMILES for (2E)-2-ethoxyiminobutanoic acid is CCO/N=C(\CC)C(=O)O.
What is the InChIKey of (2E)-2-ethoxyiminobutanoic acid?
The InChIKey is HAJAJHOUACEHHI-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(6(8)9)7-10-4-2/h3-4H2,1-2H3,(H,8,9)/b7-5+.
What are the key properties of (2E)-2-ethoxyiminobutanoic acid?
(2E)-2-ethoxyiminobutanoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethoxyiminobutanoic acid is sourced from PubChem (CID 6180402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).