3-ethoxyiminopropanoic acid;hydrochloride

C5H10ClNO3 — CID 174972705

IUPAC3-ethoxyiminopropanoic acid;hydrochloride
SMILESCCON=CCC(=O)O.Cl
InChIInChI=1S/C5H9NO3.ClH/c1-2-9-6-4-3-5(7)8;/h4H,2-3H2,1H3,(H,7,8);1H
InChIKeyFNWKJAKRTMXMER-UHFFFAOYSA-N
MW167.59 g/mol
LogP0.91
Rot. Bonds4

About 3-ethoxyiminopropanoic acid;hydrochloride

3-ethoxyiminopropanoic acid;hydrochloride (PubChem CID 174972705) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is 3-ethoxyiminopropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-ethoxyiminopropanoic acid;hydrochloride
PubChem CID174972705
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name3-ethoxyiminopropanoic acid;hydrochloride
SMILESCCON=CCC(=O)O.Cl
InChIInChI=1S/C5H9NO3.ClH/c1-2-9-6-4-3-5(7)8;/h4H,2-3H2,1H3,(H,7,8);1H
InChIKeyFNWKJAKRTMXMER-UHFFFAOYSA-N
XLogP0.91
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 50.91
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-ethoxyiminopropanoic acid;hydrochloride?
The IUPAC name of 3-ethoxyiminopropanoic acid;hydrochloride (CID 174972705) is 3-ethoxyiminopropanoic acid;hydrochloride.
What is the SMILES notation for 3-ethoxyiminopropanoic acid;hydrochloride?
The canonical SMILES for 3-ethoxyiminopropanoic acid;hydrochloride is CCON=CCC(=O)O.Cl.
What is the InChIKey of 3-ethoxyiminopropanoic acid;hydrochloride?
The InChIKey is FNWKJAKRTMXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c1-2-9-6-4-3-5(7)8;/h4H,2-3H2,1H3,(H,7,8);1H.
What are the key properties of 3-ethoxyiminopropanoic acid;hydrochloride?
3-ethoxyiminopropanoic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyiminopropanoic acid;hydrochloride is sourced from PubChem (CID 174972705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).