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

C10H23N2O3+ — CID 72941719

IUPAC[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium
SMILESCC(=O)NCCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C10H22N2O3/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4/h10,14H,5-8H2,1-4H3/p+1
InChIKeyATNGVLBPMOJLIB-UHFFFAOYSA-O
MW219.30 g/mol
LogP-0.79
Rot. Bonds7

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

[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium (PubChem CID 72941719) has the molecular formula C10H23N2O3+ and a molecular weight of 219.30 g/mol. Its IUPAC name is [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium
PubChem CID72941719
Molecular FormulaC10H23N2O3+
Molecular Weight219.30 g/mol
Exact Mass219.17
IUPAC Name[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium
SMILESCC(=O)NCCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C10H22N2O3/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4/h10,14H,5-8H2,1-4H3/p+1
InChIKeyATNGVLBPMOJLIB-UHFFFAOYSA-O
XLogP-0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 5-0.79
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?
The IUPAC name of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium (CID 72941719) is [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium.
What is the SMILES notation for [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium?
The canonical SMILES for [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium is CC(=O)NCCOCC(O)C[N+](C)(C)C.
What is the InChIKey of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium?
The InChIKey is ATNGVLBPMOJLIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2O3/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4/h10,14H,5-8H2,1-4H3/p+1.
What are the key properties of [3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium?
[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium has a molecular weight of 219.30 g/mol, XLogP of -0.79, 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 is sourced from PubChem (CID 72941719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).