2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium

C11H24NO3+ — CID 166880021

IUPAC2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium
SMILESCC(CCCC(=O)O)OCC[N+](C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(6-5-7-11(13)14)15-9-8-12(2,3)4/h10H,5-9H2,1-4H3/p+1
InChIKeyRIQHNEAECLQTFY-UHFFFAOYSA-O
MW218.32 g/mol
LogP1.35
Rot. Bonds8

About 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium

2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium (PubChem CID 166880021) has the molecular formula C11H24NO3+ and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium
PubChem CID166880021
Molecular FormulaC11H24NO3+
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium
SMILESCC(CCCC(=O)O)OCC[N+](C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(6-5-7-11(13)14)15-9-8-12(2,3)4/h10H,5-9H2,1-4H3/p+1
InChIKeyRIQHNEAECLQTFY-UHFFFAOYSA-O
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

14-(2-hydroxyethoxy)pentadecanoic acid
CID 173440000
2-(3-carboxypropoxy)ethyl-trimethylazanium
CID 175598253
(5R)-5-acetyloxyhexanoic acid
CID 87649956
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
6-carboxyhexyl(trimethyl)azanium
CID 70691026
2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
CID 157230950
2-(2-amino-4-carboxybutanoyl)oxyethyl-trimethylazanium chloride
CID 3028000
2-[carboxy(chloro)methoxy]ethyl-trimethylazanium
CID 175461532
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
4-(4-hydroxypentanoyloxy)butanoic acid
CID 57030364
hexanedioic acid;hexane-2,5-diol
CID 160536258
4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155

Frequently Asked Questions

What is the IUPAC name of 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium?
The IUPAC name of 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium (CID 166880021) is 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium is CC(CCCC(=O)O)OCC[N+](C)(C)C.
What is the InChIKey of 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium?
The InChIKey is RIQHNEAECLQTFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO3/c1-10(6-5-7-11(13)14)15-9-8-12(2,3)4/h10H,5-9H2,1-4H3/p+1.
What are the key properties of 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium?
2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium has a molecular weight of 218.32 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium is sourced from PubChem (CID 166880021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).