2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid

C10H24NO4P — CID 155661225

IUPAC2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid
SMILESCCCCNCCOCCP(=O)(O)OCC
InChIInChI=1S/C10H24NO4P/c1-3-5-6-11-7-8-14-9-10-16(12,13)15-4-2/h11H,3-10H2,1-2H3,(H,12,13)
InChIKeyJJJZYERWLGLEFB-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.61
Rot. Bonds11

About 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid

2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid (PubChem CID 155661225) has the molecular formula C10H24NO4P and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid
PubChem CID155661225
Molecular FormulaC10H24NO4P
Molecular Weight253.28 g/mol
Exact Mass253.14
IUPAC Name2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid
SMILESCCCCNCCOCCP(=O)(O)OCC
InChIInChI=1S/C10H24NO4P/c1-3-5-6-11-7-8-14-9-10-16(12,13)15-4-2/h11H,3-10H2,1-2H3,(H,12,13)
InChIKeyJJJZYERWLGLEFB-UHFFFAOYSA-N
XLogP1.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid?
The IUPAC name of 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid (CID 155661225) is 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid.
What is the SMILES notation for 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid?
The canonical SMILES for 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid is CCCCNCCOCCP(=O)(O)OCC.
What is the InChIKey of 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid?
The InChIKey is JJJZYERWLGLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO4P/c1-3-5-6-11-7-8-14-9-10-16(12,13)15-4-2/h11H,3-10H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid?
2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid has a molecular weight of 253.28 g/mol, XLogP of 1.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)ethoxy]ethyl-ethoxyphosphinic acid is sourced from PubChem (CID 155661225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).