(2-hydroxy-2-phosphonoethyl)-trimethylazanium

C5H15NO4P+ — CID 19437707

IUPAC(2-hydroxy-2-phosphonoethyl)-trimethylazanium
SMILESC[N+](C)(C)CC(O)P(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1
InChIKeyYJIOAKRBBHTUPD-UHFFFAOYSA-O
MW184.15 g/mol
LogP-0.81
Rot. Bonds3

About (2-hydroxy-2-phosphonoethyl)-trimethylazanium

(2-hydroxy-2-phosphonoethyl)-trimethylazanium (PubChem CID 19437707) has the molecular formula C5H15NO4P+ and a molecular weight of 184.15 g/mol. Its IUPAC name is (2-hydroxy-2-phosphonoethyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-2-phosphonoethyl)-trimethylazanium
PubChem CID19437707
Molecular FormulaC5H15NO4P+
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name(2-hydroxy-2-phosphonoethyl)-trimethylazanium
SMILESC[N+](C)(C)CC(O)P(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1
InChIKeyYJIOAKRBBHTUPD-UHFFFAOYSA-O
XLogP-0.81
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
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

calcium;(2-hydroxy-2-phosphonoethyl)-trimethylazanium;tetrahydrate
CID 23618348
[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium
CID 89421203
CID 88618709
CID 88618709
1-hydroxypropylphosphonic acid
CID 12625401
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
CID 87424977
[1-hydroxy-2-(methylamino)ethyl]phosphonic acid
CID 22237910
trimethyl(2-phosphonotetradecyl)azanium
CID 175292077
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea;(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 70451898
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
(1-hydroxy-3,3-diphosphonopropyl)phosphonic acid
CID 6452463
[2-di(propan-2-yl)phosphorylsulfanyl-2-hydroxyethyl]-trimethylazanium iodide
CID 19351587
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phosphonoethyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-2-phosphonoethyl)-trimethylazanium (CID 19437707) is (2-hydroxy-2-phosphonoethyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-2-phosphonoethyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-2-phosphonoethyl)-trimethylazanium is C[N+](C)(C)CC(O)P(=O)(O)O.
What is the InChIKey of (2-hydroxy-2-phosphonoethyl)-trimethylazanium?
The InChIKey is YJIOAKRBBHTUPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1.
What are the key properties of (2-hydroxy-2-phosphonoethyl)-trimethylazanium?
(2-hydroxy-2-phosphonoethyl)-trimethylazanium has a molecular weight of 184.15 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phosphonoethyl)-trimethylazanium is sourced from PubChem (CID 19437707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).