3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium

C5H13NO4P+ — CID 174495864

IUPAC3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium
SMILESNCCCO[P+](=O)OCCO
InChIInChI=1S/C5H13NO4P/c6-2-1-4-9-11(8)10-5-3-7/h7H,1-6H2/q+1
InChIKeyIKXVOXPAVHMDMV-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.02
Rot. Bonds7

About 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium

3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium (PubChem CID 174495864) has the molecular formula C5H13NO4P+ and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium.

Molecular Properties

Compound Name3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium
PubChem CID174495864
Molecular FormulaC5H13NO4P+
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium
SMILESNCCCO[P+](=O)OCCO
InChIInChI=1S/C5H13NO4P/c6-2-1-4-9-11(8)10-5-3-7/h7H,1-6H2/q+1
InChIKeyIKXVOXPAVHMDMV-UHFFFAOYSA-N
XLogP0.02
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.02
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 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
hydroxy-[2-hydroxyethoxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 87393795
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
2-[3-aminopropyl(2-hydroxyethoxy)silyl]oxyethanol
CID 173270044
3-aminopropoxy-oxo-prop-2-ynylphosphanium
CID 57017196
2-aminoethanol;bis(dihydroxy(oxo)phosphanium)
CID 87134707
ethoxy-hexoxy-oxophosphanium
CID 6329155
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 87949359
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
2-hydroxyethyl 3-aminopropanoate
CID 22321350
2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297
dihexadecoxy(oxo)phosphanium
CID 6336657

Frequently Asked Questions

What is the IUPAC name of 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium?
The IUPAC name of 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium (CID 174495864) is 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium.
What is the SMILES notation for 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium?
The canonical SMILES for 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium is NCCCO[P+](=O)OCCO.
What is the InChIKey of 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium?
The InChIKey is IKXVOXPAVHMDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4P/c6-2-1-4-9-11(8)10-5-3-7/h7H,1-6H2/q+1.
What are the key properties of 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium?
3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium has a molecular weight of 182.14 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropoxy-(2-hydroxyethoxy)-oxophosphanium is sourced from PubChem (CID 174495864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).