4-carboxybutyl(triethyl)azanium chloride

C11H24ClNO2 — CID 70688927

IUPAC4-carboxybutyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CCCCC(=O)O.[Cl-]
InChIInChI=1S/C11H23NO2.ClH/c1-4-12(5-2,6-3)10-8-7-9-11(13)14;/h4-10H2,1-3H3;1H
InChIKeyGXKVZEBIKWHXQO-UHFFFAOYSA-N
MW237.77 g/mol
LogP-0.88
Rot. Bonds8

About 4-carboxybutyl(triethyl)azanium chloride

4-carboxybutyl(triethyl)azanium chloride (PubChem CID 70688927) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-carboxybutyl(triethyl)azanium chloride.

Molecular Properties

Compound Name4-carboxybutyl(triethyl)azanium chloride
PubChem CID70688927
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name4-carboxybutyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CCCCC(=O)O.[Cl-]
InChIInChI=1S/C11H23NO2.ClH/c1-4-12(5-2,6-3)10-8-7-9-11(13)14;/h4-10H2,1-3H3;1H
InChIKeyGXKVZEBIKWHXQO-UHFFFAOYSA-N
XLogP-0.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-carboxybutyl(triethyl)azanium chloride?
The IUPAC name of 4-carboxybutyl(triethyl)azanium chloride (CID 70688927) is 4-carboxybutyl(triethyl)azanium chloride.
What is the SMILES notation for 4-carboxybutyl(triethyl)azanium chloride?
The canonical SMILES for 4-carboxybutyl(triethyl)azanium chloride is CC[N+](CC)(CC)CCCCC(=O)O.[Cl-].
What is the InChIKey of 4-carboxybutyl(triethyl)azanium chloride?
The InChIKey is GXKVZEBIKWHXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-4-12(5-2,6-3)10-8-7-9-11(13)14;/h4-10H2,1-3H3;1H.
What are the key properties of 4-carboxybutyl(triethyl)azanium chloride?
4-carboxybutyl(triethyl)azanium chloride has a molecular weight of 237.77 g/mol, XLogP of -0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxybutyl(triethyl)azanium chloride is sourced from PubChem (CID 70688927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).