5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride

C11H25ClNO3+ — CID 161408438

IUPAC5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
SMILESCOCC[N+](C)(C)CCCCCC(=O)O.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-12(2,9-10-15-3)8-6-4-5-7-11(13)14;/h4-10H2,1-3H3;1H/p+1
InChIKeyFQXQACZIUURHGJ-UHFFFAOYSA-O
MW254.78 g/mol
LogP1.78
Rot. Bonds9

About 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride

5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride (PubChem CID 161408438) has the molecular formula C11H25ClNO3+ and a molecular weight of 254.78 g/mol. Its IUPAC name is 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride.

Molecular Properties

Compound Name5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
PubChem CID161408438
Molecular FormulaC11H25ClNO3+
Molecular Weight254.78 g/mol
Exact Mass254.15
IUPAC Name5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
SMILESCOCC[N+](C)(C)CCCCCC(=O)O.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-12(2,9-10-15-3)8-6-4-5-7-11(13)14;/h4-10H2,1-3H3;1H/p+1
InChIKeyFQXQACZIUURHGJ-UHFFFAOYSA-O
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 51.78
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

bis(11-carboxyundecyl)-dimethylazanium
CID 102174919
5-carboxypentyl-icosyl-dimethylazanium bromide
CID 88762606
9-carboxynonyl-dimethyl-(3-prop-2-enoyloxypropyl)azanium
CID 118143748
3-carboxypropyl-dimethyl-octadecylazanium
CID 11596115
hexyl-(2-methoxyethyl)-dimethylazanium
CID 86100928
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
6-carboxyhexyl(trimethyl)azanium
CID 70691026
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
hexyl-(2-methoxyethyl)-dimethylazanium bromide
CID 86100927
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
3-carboxypropyl-dimethyl-(9-prop-2-enoyloxynonyl)azanium
CID 118143336
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577

Frequently Asked Questions

What is the IUPAC name of 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride?
The IUPAC name of 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride (CID 161408438) is 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride.
What is the SMILES notation for 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride?
The canonical SMILES for 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride is COCC[N+](C)(C)CCCCCC(=O)O.Cl.
What is the InChIKey of 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride?
The InChIKey is FQXQACZIUURHGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO3.ClH/c1-12(2,9-10-15-3)8-6-4-5-7-11(13)14;/h4-10H2,1-3H3;1H/p+1.
What are the key properties of 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride?
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride is sourced from PubChem (CID 161408438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).