hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate

C5H14NO3P — CID 4242130

IUPAChydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
SMILESC[N+](C)(C)CCP(=O)([O-])O
InChIInChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)
InChIKeyVCANKBLUHKRQLL-UHFFFAOYSA-N
MW167.15 g/mol
LogP-0.76
Rot. Bonds3

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

hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate (PubChem CID 4242130) has the molecular formula C5H14NO3P and a molecular weight of 167.15 g/mol. Its IUPAC name is hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
PubChem CID4242130
Molecular FormulaC5H14NO3P
Molecular Weight167.15 g/mol
Exact Mass167.07
IUPAC Namehydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
SMILESC[N+](C)(C)CCP(=O)([O-])O
InChIInChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)
InChIKeyVCANKBLUHKRQLL-UHFFFAOYSA-N
XLogP-0.76
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
CID 172848075
2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate
CID 172696241
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
calcium;2-hydroxyethyl(trimethyl)azanium;phosphate;hydrochloride
CID 173268854
hydrogen phosphate;bis(tetramethylazanium)
CID 14746851
hydroxy(2-hydroxyethyl)phosphinate
CID 25246079
2-[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]ethyl-hydroxyphosphinate
CID 172841486
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
butyl(trimethyl)azanium;phosphoric acid
CID 175165471

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate?
The IUPAC name of hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate (CID 4242130) is hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate.
What is the SMILES notation for hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate?
The canonical SMILES for hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate is C[N+](C)(C)CCP(=O)([O-])O.
What is the InChIKey of hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate?
The InChIKey is VCANKBLUHKRQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9).
What are the key properties of hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate?
hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate has a molecular weight of 167.15 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate is sourced from PubChem (CID 4242130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).