[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium

C9H20NO3+ — CID 26730

IUPAC[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
SMILESCCOC(=O)C[C@@H](O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h8,11H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKeyLIVZKOLXSFTCAZ-MRVPVSSYSA-N
MW190.26 g/mol
LogP0.01
Rot. Bonds5

About [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium

[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium (PubChem CID 26730) has the molecular formula C9H20NO3+ and a molecular weight of 190.26 g/mol. Its IUPAC name is [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
PubChem CID26730
Molecular FormulaC9H20NO3+
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
SMILESCCOC(=O)C[C@@H](O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h8,11H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKeyLIVZKOLXSFTCAZ-MRVPVSSYSA-N
XLogP0.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-2-hydroxy-4-oxobutyl)-trimethylazanium chloride
CID 13455329
[(2R)-4-hexadecoxy-2-hydroxy-4-oxobutyl]-trimethylazanium chloride
CID 10622113
(4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium hydroxide
CID 15630699
ethyl (3S)-3-hydroxy-5,5-dimethoxypentanoate
CID 24795324
ethyl (5R)-3-hydroxy-5-methylheptanoate
CID 11679950
ethyl (3R)-4-cyano-3-hydroxybutanoate
CID 2733879
ethyl (3S)-3-hydroxy-4-isocyanobutanoate
CID 59043185
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440
(2-ethoxy-2-oxoethyl)-dimethyl-(113C)methylazanium iodide
CID 169440082
[(2R)-4-chloro-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 102394239
ethyl (3R)-3,7-dihydroxyheptanoate
CID 11252487
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium?
The IUPAC name of [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium (CID 26730) is [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium.
What is the SMILES notation for [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium?
The canonical SMILES for [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium is CCOC(=O)C[C@@H](O)C[N+](C)(C)C.
What is the InChIKey of [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium?
The InChIKey is LIVZKOLXSFTCAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h8,11H,5-7H2,1-4H3/q+1/t8-/m1/s1.
What are the key properties of [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium?
[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium has a molecular weight of 190.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium is sourced from PubChem (CID 26730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).