1-carboxyethyl-dodecyl-dimethylazanium

C17H36NO2+ — CID 19028565

IUPAC1-carboxyethyl-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)C(C)C(=O)O
InChIInChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(3,4)16(2)17(19)20/h16H,5-15H2,1-4H3/p+1
InChIKeyGFUVIXXLPAIPGW-UHFFFAOYSA-O
MW286.48 g/mol
LogP4.46
Rot. Bonds13

About 1-carboxyethyl-dodecyl-dimethylazanium

1-carboxyethyl-dodecyl-dimethylazanium (PubChem CID 19028565) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is 1-carboxyethyl-dodecyl-dimethylazanium.

Molecular Properties

Compound Name1-carboxyethyl-dodecyl-dimethylazanium
PubChem CID19028565
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Name1-carboxyethyl-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)C(C)C(=O)O
InChIInChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(3,4)16(2)17(19)20/h16H,5-15H2,1-4H3/p+1
InChIKeyGFUVIXXLPAIPGW-UHFFFAOYSA-O
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-carboxyethyl-dodecyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carboxyethyl(trihexyl)azanium
CID 139977305
dodecyl-dimethyl-(1-oxo-1-phenylpropan-2-yl)azanium bromide
CID 21149420
2-[bis(1-carboxyethyl)-octadecylazaniumyl]propanoate
CID 177468186
2-[bis(1-carboxyethyl)-dodecylazaniumyl]propanoate
CID 177474284
1-carboxyethyl-di(hexadecanoyl)-methylazanium
CID 175396522
1-hydroxyethyl-dimethyl-octylazanium chloride
CID 18625157
2,3-dihydroxybutanedioic acid;octadecyl(tripropyl)azanium
CID 90034253
[carboxy(hydroxy)methyl]-didecyl-methylazanium
CID 130276258
dimethyl-octyl-propan-2-ylazanium chloride
CID 162517722
1,2-dihydroxypropyl-dodecyl-dimethylazanium
CID 170558264
[1-(1-adamantyl)-1-oxopropan-2-yl]-dimethyl-octadecylazanium bromide
CID 88830585
acetic acid;didecyl(dimethyl)azanium
CID 87374171

Frequently Asked Questions

What is the IUPAC name of 1-carboxyethyl-dodecyl-dimethylazanium?
The IUPAC name of 1-carboxyethyl-dodecyl-dimethylazanium (CID 19028565) is 1-carboxyethyl-dodecyl-dimethylazanium.
What is the SMILES notation for 1-carboxyethyl-dodecyl-dimethylazanium?
The canonical SMILES for 1-carboxyethyl-dodecyl-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)C(C)C(=O)O.
What is the InChIKey of 1-carboxyethyl-dodecyl-dimethylazanium?
The InChIKey is GFUVIXXLPAIPGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(3,4)16(2)17(19)20/h16H,5-15H2,1-4H3/p+1.
What are the key properties of 1-carboxyethyl-dodecyl-dimethylazanium?
1-carboxyethyl-dodecyl-dimethylazanium has a molecular weight of 286.48 g/mol, XLogP of 4.46, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyethyl-dodecyl-dimethylazanium is sourced from PubChem (CID 19028565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).