[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium

C5H15NO4P+ — CID 137347774

IUPAC[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@H](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/t5-/m1/s1
InChIKeyYJIOAKRBBHTUPD-RXMQYKEDSA-O
MW184.15 g/mol
LogP-0.81
Rot. Bonds3

About [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium

[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium (PubChem CID 137347774) has the molecular formula C5H15NO4P+ and a molecular weight of 184.15 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium
PubChem CID137347774
Molecular FormulaC5H15NO4P+
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@H](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/t5-/m1/s1
InChIKeyYJIOAKRBBHTUPD-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium?
The IUPAC name of [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium (CID 137347774) is [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium?
The canonical SMILES for [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium is C[N+](C)(C)C[C@H](O)P(=O)(O)O.
What is the InChIKey of [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium?
The InChIKey is YJIOAKRBBHTUPD-RXMQYKEDSA-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/t5-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium?
[(2R)-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 [(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium is sourced from PubChem (CID 137347774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).