4-carboxybutyl(tripropyl)azanium chloride

C14H30ClNO2 — CID 70686869

IUPAC4-carboxybutyl(tripropyl)azanium chloride
SMILESCCC[N+](CCC)(CCC)CCCCC(=O)O.[Cl-]
InChIInChI=1S/C14H29NO2.ClH/c1-4-10-15(11-5-2,12-6-3)13-8-7-9-14(16)17;/h4-13H2,1-3H3;1H
InChIKeyUARFWYDFONKXLO-UHFFFAOYSA-N
MW279.85 g/mol
LogP0.29
Rot. Bonds11

About 4-carboxybutyl(tripropyl)azanium chloride

4-carboxybutyl(tripropyl)azanium chloride (PubChem CID 70686869) has the molecular formula C14H30ClNO2 and a molecular weight of 279.85 g/mol. Its IUPAC name is 4-carboxybutyl(tripropyl)azanium chloride.

Molecular Properties

Compound Name4-carboxybutyl(tripropyl)azanium chloride
PubChem CID70686869
Molecular FormulaC14H30ClNO2
Molecular Weight279.85 g/mol
Exact Mass279.20
IUPAC Name4-carboxybutyl(tripropyl)azanium chloride
SMILESCCC[N+](CCC)(CCC)CCCCC(=O)O.[Cl-]
InChIInChI=1S/C14H29NO2.ClH/c1-4-10-15(11-5-2,12-6-3)13-8-7-9-14(16)17;/h4-13H2,1-3H3;1H
InChIKeyUARFWYDFONKXLO-UHFFFAOYSA-N
XLogP0.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 50.29
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(tripropyl)azanium chloride?
The IUPAC name of 4-carboxybutyl(tripropyl)azanium chloride (CID 70686869) is 4-carboxybutyl(tripropyl)azanium chloride.
What is the SMILES notation for 4-carboxybutyl(tripropyl)azanium chloride?
The canonical SMILES for 4-carboxybutyl(tripropyl)azanium chloride is CCC[N+](CCC)(CCC)CCCCC(=O)O.[Cl-].
What is the InChIKey of 4-carboxybutyl(tripropyl)azanium chloride?
The InChIKey is UARFWYDFONKXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.ClH/c1-4-10-15(11-5-2,12-6-3)13-8-7-9-14(16)17;/h4-13H2,1-3H3;1H.
What are the key properties of 4-carboxybutyl(tripropyl)azanium chloride?
4-carboxybutyl(tripropyl)azanium chloride has a molecular weight of 279.85 g/mol, XLogP of 0.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxybutyl(tripropyl)azanium chloride is sourced from PubChem (CID 70686869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).