propanoate;triethyl(phenyl)azanium

C15H25NO2 — CID 146567529

IUPACpropanoate;triethyl(phenyl)azanium
SMILESCCC(=O)[O-].CC[N+](CC)(CC)c1ccccc1
InChIInChI=1S/C12H20N.C3H6O2/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;1-2-3(4)5/h7-11H,4-6H2,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyPZLQCNAKQYOZFZ-UHFFFAOYSA-M
MW251.37 g/mol
LogP2.20
Rot. Bonds5

About propanoate;triethyl(phenyl)azanium

propanoate;triethyl(phenyl)azanium (PubChem CID 146567529) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is propanoate;triethyl(phenyl)azanium.

Molecular Properties

Compound Namepropanoate;triethyl(phenyl)azanium
PubChem CID146567529
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namepropanoate;triethyl(phenyl)azanium
SMILESCCC(=O)[O-].CC[N+](CC)(CC)c1ccccc1
InChIInChI=1S/C12H20N.C3H6O2/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;1-2-3(4)5/h7-11H,4-6H2,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyPZLQCNAKQYOZFZ-UHFFFAOYSA-M
XLogP2.20
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl(phenyl)azanium hydroxide
CID 2735149
propanoate;trimethyl(phenyl)azanium
CID 70571170
oxido(oxo)borane;triethyl(phenyl)azanium
CID 14746837
triethyl(phenyl)azanium;hydroxide;hydrofluoride
CID 139832069
azane;triethyl(phenyl)azanium;hydrate
CID 174742361
phosphane;triethyl(phenyl)azanium;bromide;hydrobromide
CID 174774138
2-hydroxypropane-1,2,3-tricarboxylic acid;triethyl(phenyl)azanium
CID 146567455
phenyltin(3+);propanoate
CID 157164859
(4-carboxyphenyl)-triethylazanium
CID 71001795
zinc;phenol;propanoate
CID 174753936
dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
CID 159297233
benzyl(trimethyl)azanium;propanoate
CID 87903949

Frequently Asked Questions

What is the IUPAC name of propanoate;triethyl(phenyl)azanium?
The IUPAC name of propanoate;triethyl(phenyl)azanium (CID 146567529) is propanoate;triethyl(phenyl)azanium.
What is the SMILES notation for propanoate;triethyl(phenyl)azanium?
The canonical SMILES for propanoate;triethyl(phenyl)azanium is CCC(=O)[O-].CC[N+](CC)(CC)c1ccccc1.
What is the InChIKey of propanoate;triethyl(phenyl)azanium?
The InChIKey is PZLQCNAKQYOZFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.C3H6O2/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;1-2-3(4)5/h7-11H,4-6H2,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of propanoate;triethyl(phenyl)azanium?
propanoate;triethyl(phenyl)azanium has a molecular weight of 251.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;triethyl(phenyl)azanium is sourced from PubChem (CID 146567529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).