ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid

C10H24NO5P — CID 155661171

IUPACethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
SMILESCCOP(=O)(O)CCOCCNCCCOC
InChIInChI=1S/C10H24NO5P/c1-3-16-17(12,13)10-9-15-8-6-11-5-4-7-14-2/h11H,3-10H2,1-2H3,(H,12,13)
InChIKeyLEIQUMYIQVFPBQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.85
Rot. Bonds12

About ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid

ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid (PubChem CID 155661171) has the molecular formula C10H24NO5P and a molecular weight of 269.28 g/mol. Its IUPAC name is ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
PubChem CID155661171
Molecular FormulaC10H24NO5P
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Nameethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
SMILESCCOP(=O)(O)CCOCCNCCCOC
InChIInChI=1S/C10H24NO5P/c1-3-16-17(12,13)10-9-15-8-6-11-5-4-7-14-2/h11H,3-10H2,1-2H3,(H,12,13)
InChIKeyLEIQUMYIQVFPBQ-UHFFFAOYSA-N
XLogP0.85
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
The IUPAC name of ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid (CID 155661171) is ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid is CCOP(=O)(O)CCOCCNCCCOC.
What is the InChIKey of ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
The InChIKey is LEIQUMYIQVFPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO5P/c1-3-16-17(12,13)10-9-15-8-6-11-5-4-7-14-2/h11H,3-10H2,1-2H3,(H,12,13).
What are the key properties of ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid has a molecular weight of 269.28 g/mol, XLogP of 0.85, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid is sourced from PubChem (CID 155661171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).