2-ethoxyiminoethyl(methyl)phosphinic acid

C5H12NO3P — CID 123573204

IUPAC2-ethoxyiminoethyl(methyl)phosphinic acid
SMILESCCON=CCP(C)(=O)O
InChIInChI=1S/C5H12NO3P/c1-3-9-6-4-5-10(2,7)8/h4H,3,5H2,1-2H3,(H,7,8)
InChIKeyPKYVZUGSPKFDNS-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.91
Rot. Bonds4

About 2-ethoxyiminoethyl(methyl)phosphinic acid

2-ethoxyiminoethyl(methyl)phosphinic acid (PubChem CID 123573204) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is 2-ethoxyiminoethyl(methyl)phosphinic acid.

Molecular Properties

Compound Name2-ethoxyiminoethyl(methyl)phosphinic acid
PubChem CID123573204
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name2-ethoxyiminoethyl(methyl)phosphinic acid
SMILESCCON=CCP(C)(=O)O
InChIInChI=1S/C5H12NO3P/c1-3-9-6-4-5-10(2,7)8/h4H,3,5H2,1-2H3,(H,7,8)
InChIKeyPKYVZUGSPKFDNS-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 ≤ 500165.13
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyiminoethyl(methyl)phosphinic acid?
The IUPAC name of 2-ethoxyiminoethyl(methyl)phosphinic acid (CID 123573204) is 2-ethoxyiminoethyl(methyl)phosphinic acid.
What is the SMILES notation for 2-ethoxyiminoethyl(methyl)phosphinic acid?
The canonical SMILES for 2-ethoxyiminoethyl(methyl)phosphinic acid is CCON=CCP(C)(=O)O.
What is the InChIKey of 2-ethoxyiminoethyl(methyl)phosphinic acid?
The InChIKey is PKYVZUGSPKFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3P/c1-3-9-6-4-5-10(2,7)8/h4H,3,5H2,1-2H3,(H,7,8).
What are the key properties of 2-ethoxyiminoethyl(methyl)phosphinic acid?
2-ethoxyiminoethyl(methyl)phosphinic acid has a molecular weight of 165.13 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 2-ethoxyiminoethyl(methyl)phosphinic acid is sourced from PubChem (CID 123573204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).