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

C9H22NO4P — CID 155661192

IUPAC2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid
SMILESCCCCNCCOCCP(=O)(O)OC
InChIInChI=1S/C9H22NO4P/c1-3-4-5-10-6-7-14-8-9-15(11,12)13-2/h10H,3-9H2,1-2H3,(H,11,12)
InChIKeyPVAXRUVZDIXHRD-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.22
Rot. Bonds10

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

2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid (PubChem CID 155661192) has the molecular formula C9H22NO4P and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid.

Molecular Properties

Compound Name2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid
PubChem CID155661192
Molecular FormulaC9H22NO4P
Molecular Weight239.25 g/mol
Exact Mass239.13
IUPAC Name2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid
SMILESCCCCNCCOCCP(=O)(O)OC
InChIInChI=1S/C9H22NO4P/c1-3-4-5-10-6-7-14-8-9-15(11,12)13-2/h10H,3-9H2,1-2H3,(H,11,12)
InChIKeyPVAXRUVZDIXHRD-UHFFFAOYSA-N
XLogP1.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.22
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-methoxyphosphinic acid?
The IUPAC name of 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid (CID 155661192) is 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid.
What is the SMILES notation for 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid?
The canonical SMILES for 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid is CCCCNCCOCCP(=O)(O)OC.
What is the InChIKey of 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid?
The InChIKey is PVAXRUVZDIXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO4P/c1-3-4-5-10-6-7-14-8-9-15(11,12)13-2/h10H,3-9H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid?
2-[2-(butylamino)ethoxy]ethyl-methoxyphosphinic acid has a molecular weight of 239.25 g/mol, XLogP of 1.22, 10 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-methoxyphosphinic acid is sourced from PubChem (CID 155661192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).