ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate

C10H23NO5P- — CID 164717311

IUPACethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate
SMILESCCNCCCOCC(O)COP(=O)([O-])CC
InChIInChI=1S/C10H24NO5P/c1-3-11-6-5-7-15-8-10(12)9-16-17(13,14)4-2/h10-12H,3-9H2,1-2H3,(H,13,14)/p-1
InChIKeyIDMZBQJQQJXNGN-UHFFFAOYSA-M
MW268.27 g/mol
LogP-0.05
Rot. Bonds11

About ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate

ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate (PubChem CID 164717311) has the molecular formula C10H23NO5P- and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate.

Molecular Properties

Compound Nameethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate
PubChem CID164717311
Molecular FormulaC10H23NO5P-
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Nameethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate
SMILESCCNCCCOCC(O)COP(=O)([O-])CC
InChIInChI=1S/C10H24NO5P/c1-3-11-6-5-7-15-8-10(12)9-16-17(13,14)4-2/h10-12H,3-9H2,1-2H3,(H,13,14)/p-1
InChIKeyIDMZBQJQQJXNGN-UHFFFAOYSA-M
XLogP-0.05
TPSA90.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate?
The IUPAC name of ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate (CID 164717311) is ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate.
What is the SMILES notation for ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate?
The canonical SMILES for ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate is CCNCCCOCC(O)COP(=O)([O-])CC.
What is the InChIKey of ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate?
The InChIKey is IDMZBQJQQJXNGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO5P/c1-3-11-6-5-7-15-8-10(12)9-16-17(13,14)4-2/h10-12H,3-9H2,1-2H3,(H,13,14)/p-1.
What are the key properties of ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate?
ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate has a molecular weight of 268.27 g/mol, XLogP of -0.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[3-(ethylamino)propoxy]-2-hydroxypropoxy]phosphinate is sourced from PubChem (CID 164717311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).