[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium

C7H19NO3P+ — CID 89421203

IUPAC[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium
SMILESCCP(=O)(O)C(O)C[N+](C)(C)C
InChIInChI=1S/C7H18NO3P/c1-5-12(10,11)7(9)6-8(2,3)4/h7,9H,5-6H2,1-4H3/p+1
InChIKeyYRMFIKXTAYIVIE-UHFFFAOYSA-O
MW196.21 g/mol
LogP0.30
Rot. Bonds4

About [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium

[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium (PubChem CID 89421203) has the molecular formula C7H19NO3P+ and a molecular weight of 196.21 g/mol. Its IUPAC name is [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium
PubChem CID89421203
Molecular FormulaC7H19NO3P+
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium
SMILESCCP(=O)(O)C(O)C[N+](C)(C)C
InChIInChI=1S/C7H18NO3P/c1-5-12(10,11)7(9)6-8(2,3)4/h7,9H,5-6H2,1-4H3/p+1
InChIKeyYRMFIKXTAYIVIE-UHFFFAOYSA-O
XLogP0.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
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

Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate
CID 17722
Choline dihydrogen phosphate
CID 150067
Cholin Dimethylphosphat
CID 87076875
(1R)-(1-hydroxy-2-trimethylamino)ethylphosphonate
CID 146037292
(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium
CID 137347774
2-Hydroxyethyl-dimethyl-[(oxo-lambda5-phosphanylidyne)methyl]azanium
CID 67723810
Phosphonic acid, P,P'-[[(2-hydroxyethyl)imino]bis(methylene)]bis-, P,P,P',P'-tetraethyl ester
CID 121592
[(1R)-1-hydroxy-2-(trimethylamino)ethyl]phosphonate
CID 154573045
ethane, (diethoxyphosphinylmethyl-N-ethyl)amino-
CID 171384163
1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-phosphono-, inner salt, (2S)-
CID 10081411
1-phospho-N,N-dimethylethanolamine
CID 45089050
Phosphoryldimethylethanolamine
CID 129673118

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium?
The IUPAC name of [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium (CID 89421203) is [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium.
What is the SMILES notation for [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium?
The canonical SMILES for [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium is CCP(=O)(O)C(O)C[N+](C)(C)C.
What is the InChIKey of [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium?
The InChIKey is YRMFIKXTAYIVIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18NO3P/c1-5-12(10,11)7(9)6-8(2,3)4/h7,9H,5-6H2,1-4H3/p+1.
What are the key properties of [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium?
[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium has a molecular weight of 196.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium is sourced from PubChem (CID 89421203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).