carboxymethyl(triethyl)azanium chloride

C8H18ClNO2 — CID 19873364

IUPACcarboxymethyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CC(=O)O.[Cl-]
InChIInChI=1S/C8H17NO2.ClH/c1-4-9(5-2,6-3)7-8(10)11;/h4-7H2,1-3H3;1H
InChIKeyBNJNPNJLWWALMC-UHFFFAOYSA-N
MW195.69 g/mol
LogP-2.05
Rot. Bonds5

About carboxymethyl(triethyl)azanium chloride

carboxymethyl(triethyl)azanium chloride (PubChem CID 19873364) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is carboxymethyl(triethyl)azanium chloride.

Molecular Properties

Compound Namecarboxymethyl(triethyl)azanium chloride
PubChem CID19873364
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namecarboxymethyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CC(=O)O.[Cl-]
InChIInChI=1S/C8H17NO2.ClH/c1-4-9(5-2,6-3)7-8(10)11;/h4-7H2,1-3H3;1H
InChIKeyBNJNPNJLWWALMC-UHFFFAOYSA-N
XLogP-2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 5-2.05
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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Related Compounds

Betaine chloride
CID 11545
N,N-Dimethylglycine
CID 673
Nitrilotriacetic Acid
CID 8758
N,N,N-trimethylglycinium
CID 248
N,N-Dimethylglycine hydrochloride
CID 75605
Betaine monohydrate
CID 24884197
N-methyliminodiacetic acid
CID 20441
N,N-Diethylglycine
CID 74151
Triethylamine acetate
CID 165295
Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride
CID 5702209
N,N-Diethylglycine hydrochloride
CID 458470
2-(Triethylammonio)Acetate
CID 11298120

Frequently Asked Questions

What is the IUPAC name of carboxymethyl(triethyl)azanium chloride?
The IUPAC name of carboxymethyl(triethyl)azanium chloride (CID 19873364) is carboxymethyl(triethyl)azanium chloride.
What is the SMILES notation for carboxymethyl(triethyl)azanium chloride?
The canonical SMILES for carboxymethyl(triethyl)azanium chloride is CC[N+](CC)(CC)CC(=O)O.[Cl-].
What is the InChIKey of carboxymethyl(triethyl)azanium chloride?
The InChIKey is BNJNPNJLWWALMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-9(5-2,6-3)7-8(10)11;/h4-7H2,1-3H3;1H.
What are the key properties of carboxymethyl(triethyl)azanium chloride?
carboxymethyl(triethyl)azanium chloride has a molecular weight of 195.69 g/mol, XLogP of -2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(triethyl)azanium chloride is sourced from PubChem (CID 19873364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).