[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride

C10H23ClN2O3 — CID 72941718

IUPAC[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride
SMILESCC(=O)NCCOCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22N2O3.ClH/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4;/h10,14H,5-8H2,1-4H3;1H
InChIKeyFEOTVIPLJJVOOA-UHFFFAOYSA-N
MW254.76 g/mol
LogP-3.79
Rot. Bonds7

About [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride

[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride (PubChem CID 72941718) has the molecular formula C10H23ClN2O3 and a molecular weight of 254.76 g/mol. Its IUPAC name is [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride
PubChem CID72941718
Molecular FormulaC10H23ClN2O3
Molecular Weight254.76 g/mol
Exact Mass254.14
IUPAC Name[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride
SMILESCC(=O)NCCOCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22N2O3.ClH/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4;/h10,14H,5-8H2,1-4H3;1H
InChIKeyFEOTVIPLJJVOOA-UHFFFAOYSA-N
XLogP-3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 5-3.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride?
The IUPAC name of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride (CID 72941718) is [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride.
What is the SMILES notation for [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride?
The canonical SMILES for [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride is CC(=O)NCCOCC(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride?
The InChIKey is FEOTVIPLJJVOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3.ClH/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4;/h10,14H,5-8H2,1-4H3;1H.
What are the key properties of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride?
[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride has a molecular weight of 254.76 g/mol, XLogP of -3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium chloride is sourced from PubChem (CID 72941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).