hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate

C7H18NO4P — CID 172848075

IUPAChydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
SMILESC[N+](C)(C)CCOCCP(=O)([O-])O
InChIInChI=1S/C7H18NO4P/c1-8(2,3)4-5-12-6-7-13(9,10)11/h4-7H2,1-3H3,(H-,9,10,11)
InChIKeyXRURXCAABACRTC-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.75
Rot. Bonds6

About hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate

hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate (PubChem CID 172848075) has the molecular formula C7H18NO4P and a molecular weight of 211.20 g/mol. Its IUPAC name is hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
PubChem CID172848075
Molecular FormulaC7H18NO4P
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Namehydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
SMILESC[N+](C)(C)CCOCCP(=O)([O-])O
InChIInChI=1S/C7H18NO4P/c1-8(2,3)4-5-12-6-7-13(9,10)11/h4-7H2,1-3H3,(H-,9,10,11)
InChIKeyXRURXCAABACRTC-UHFFFAOYSA-N
XLogP-0.75
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
CID 4242130
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
2-but-2-ynoxyethyl(trimethyl)azanium;phosphoric acid
CID 175331482
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
CID 87786144
2-(2-hydroxy-3-phosphonooxypropoxy)ethyl-trimethylazanium
CID 174875717
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
calcium;sodium;hydride;trimethyl(2-phosphonooxyethyl)azanium
CID 174453960
2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
CID 157230950
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate?
The IUPAC name of hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate (CID 172848075) is hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate.
What is the SMILES notation for hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate?
The canonical SMILES for hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate is C[N+](C)(C)CCOCCP(=O)([O-])O.
What is the InChIKey of hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate?
The InChIKey is XRURXCAABACRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO4P/c1-8(2,3)4-5-12-6-7-13(9,10)11/h4-7H2,1-3H3,(H-,9,10,11).
What are the key properties of hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate?
hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate has a molecular weight of 211.20 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate is sourced from PubChem (CID 172848075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).