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

C9H22NO5P — CID 155661235

IUPACmethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
SMILESCOCCCNCCOCCP(=O)(O)OC
InChIInChI=1S/C9H22NO5P/c1-13-6-3-4-10-5-7-15-8-9-16(11,12)14-2/h10H,3-9H2,1-2H3,(H,11,12)
InChIKeyQTCYAZLROPWWIM-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.46
Rot. Bonds11

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

methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid (PubChem CID 155661235) has the molecular formula C9H22NO5P and a molecular weight of 255.25 g/mol. Its IUPAC name is methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
PubChem CID155661235
Molecular FormulaC9H22NO5P
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Namemethoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid
SMILESCOCCCNCCOCCP(=O)(O)OC
InChIInChI=1S/C9H22NO5P/c1-13-6-3-4-10-5-7-15-8-9-16(11,12)14-2/h10H,3-9H2,1-2H3,(H,11,12)
InChIKeyQTCYAZLROPWWIM-UHFFFAOYSA-N
XLogP0.46
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.46
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'}

Analyze methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]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 methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
The IUPAC name of methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid (CID 155661235) is methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid.
What is the SMILES notation for methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
The canonical SMILES for methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid is COCCCNCCOCCP(=O)(O)OC.
What is the InChIKey of methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
The InChIKey is QTCYAZLROPWWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO5P/c1-13-6-3-4-10-5-7-15-8-9-16(11,12)14-2/h10H,3-9H2,1-2H3,(H,11,12).
What are the key properties of methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid?
methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid has a molecular weight of 255.25 g/mol, XLogP of 0.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-[2-(3-methoxypropylamino)ethoxy]ethyl]phosphinic acid is sourced from PubChem (CID 155661235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).