carboxymethyl(triethyl)azanium

C8H18NO2+ — CID 11298121

IUPACcarboxymethyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9(5-2,6-3)7-8(10)11/h4-7H2,1-3H3/p+1
InChIKeyHWQBONCHPDJRCV-UHFFFAOYSA-O
MW160.24 g/mol
LogP0.95
Rot. Bonds5

About carboxymethyl(triethyl)azanium

carboxymethyl(triethyl)azanium (PubChem CID 11298121) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is carboxymethyl(triethyl)azanium.

Molecular Properties

Compound Namecarboxymethyl(triethyl)azanium
PubChem CID11298121
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Namecarboxymethyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9(5-2,6-3)7-8(10)11/h4-7H2,1-3H3/p+1
InChIKeyHWQBONCHPDJRCV-UHFFFAOYSA-O
XLogP0.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl(triethyl)azanium?
The IUPAC name of carboxymethyl(triethyl)azanium (CID 11298121) is carboxymethyl(triethyl)azanium.
What is the SMILES notation for carboxymethyl(triethyl)azanium?
The canonical SMILES for carboxymethyl(triethyl)azanium is CC[N+](CC)(CC)CC(=O)O.
What is the InChIKey of carboxymethyl(triethyl)azanium?
The InChIKey is HWQBONCHPDJRCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO2/c1-4-9(5-2,6-3)7-8(10)11/h4-7H2,1-3H3/p+1.
What are the key properties of carboxymethyl(triethyl)azanium?
carboxymethyl(triethyl)azanium has a molecular weight of 160.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(triethyl)azanium is sourced from PubChem (CID 11298121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).