2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid

C10H24NO5P — CID 155661196

IUPAC2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
SMILESCCOCCCNCCOCCP(=O)(O)OC
InChIInChI=1S/C10H24NO5P/c1-3-15-7-4-5-11-6-8-16-9-10-17(12,13)14-2/h11H,3-10H2,1-2H3,(H,12,13)
InChIKeyMPQFAHIBBIILPL-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.85
Rot. Bonds12

About 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid

2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid (PubChem CID 155661196) has the molecular formula C10H24NO5P and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
PubChem CID155661196
Molecular FormulaC10H24NO5P
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
SMILESCCOCCCNCCOCCP(=O)(O)OC
InChIInChI=1S/C10H24NO5P/c1-3-15-7-4-5-11-6-8-16-9-10-17(12,13)14-2/h11H,3-10H2,1-2H3,(H,12,13)
InChIKeyMPQFAHIBBIILPL-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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Related Compounds

ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
CID 155661193
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
methoxy-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]phosphinic acid
CID 161196889
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
7-ethoxy-N-propylheptan-1-amine
CID 163393813
N-(2-ethoxyethyl)-methoxyphosphonamidic acid
CID 89121913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid?
The IUPAC name of 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid (CID 155661196) is 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid.
What is the SMILES notation for 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid?
The canonical SMILES for 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid is CCOCCCNCCOCCP(=O)(O)OC.
What is the InChIKey of 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid?
The InChIKey is MPQFAHIBBIILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO5P/c1-3-15-7-4-5-11-6-8-16-9-10-17(12,13)14-2/h11H,3-10H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid?
2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic 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 2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid is sourced from PubChem (CID 155661196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).