2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid

C6H14NO3P — CID 169084673

IUPAC2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(=O)(O)CC=NO
InChIInChI=1S/C6H14NO3P/c1-6(2)5-11(9,10)4-3-7-8/h3,6,8H,4-5H2,1-2H3,(H,9,10)
InChIKeyNIUHOGRBTCSKQQ-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.37
Rot. Bonds4

About 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid

2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid (PubChem CID 169084673) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid.

Molecular Properties

Compound Name2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid
PubChem CID169084673
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(=O)(O)CC=NO
InChIInChI=1S/C6H14NO3P/c1-6(2)5-11(9,10)4-3-7-8/h3,6,8H,4-5H2,1-2H3,(H,9,10)
InChIKeyNIUHOGRBTCSKQQ-UHFFFAOYSA-N
XLogP1.37
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-hydroxyiminoethyl(2-methylpropyl)phosphinic 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 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid?
The IUPAC name of 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid (CID 169084673) is 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid.
What is the SMILES notation for 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid?
The canonical SMILES for 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid is CC(C)CP(=O)(O)CC=NO.
What is the InChIKey of 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid?
The InChIKey is NIUHOGRBTCSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-6(2)5-11(9,10)4-3-7-8/h3,6,8H,4-5H2,1-2H3,(H,9,10).
What are the key properties of 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid?
2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid has a molecular weight of 179.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminoethyl(2-methylpropyl)phosphinic acid is sourced from PubChem (CID 169084673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).