2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride

C8H19ClNO3+ — CID 157230950

IUPAC2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)CCOCCC(=O)O.Cl
InChIInChI=1S/C8H17NO3.ClH/c1-9(2,3)5-7-12-6-4-8(10)11;/h4-7H2,1-3H3;1H/p+1
InChIKeyKDUARIAHPZUHJI-UHFFFAOYSA-O
MW212.70 g/mol
LogP0.61
Rot. Bonds6

About 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride

2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride (PubChem CID 157230950) has the molecular formula C8H19ClNO3+ and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride.

Molecular Properties

Compound Name2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
PubChem CID157230950
Molecular FormulaC8H19ClNO3+
Molecular Weight212.70 g/mol
Exact Mass212.10
IUPAC Name2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)CCOCCC(=O)O.Cl
InChIInChI=1S/C8H17NO3.ClH/c1-9(2,3)5-7-12-6-4-8(10)11;/h4-7H2,1-3H3;1H/p+1
InChIKeyKDUARIAHPZUHJI-UHFFFAOYSA-O
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-(3-carboxypropoxy)ethyl-trimethylazanium
CID 175598253
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
3-(2-sulfanylethoxy)propanoic acid
CID 19987106
CID 172913435
CID 172913435
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-(2-methylsulfanylethoxy)propanoic acid
CID 127003779

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride?
The IUPAC name of 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride (CID 157230950) is 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride.
What is the SMILES notation for 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride?
The canonical SMILES for 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride is C[N+](C)(C)CCOCCC(=O)O.Cl.
What is the InChIKey of 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride?
The InChIKey is KDUARIAHPZUHJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO3.ClH/c1-9(2,3)5-7-12-6-4-8(10)11;/h4-7H2,1-3H3;1H/p+1.
What are the key properties of 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride?
2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride has a molecular weight of 212.70 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride is sourced from PubChem (CID 157230950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).