N-(Carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium

HCID 20281

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Basic information

Standard SMILES: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChIKey: MRUAUOIMASANKQ-UHFFFAOYSA-O
Molecular formula: C19H39N2O3+
Average molar mass: 343.5 g/mol
Monoisotopic mass: 343.29606811

Names & identifiers

Preferred name: N-(Carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium
IUPAC: carboxymethyl-[3-(dodecanoylamino)propyl]-dimethylazanium

Names & synonyms

DTXSID00859858N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminiumRefChem:1091411DTXCID00209758SCHEMBL103617N-(Carboxymethyl)-3-dodecanamido-N,N-dimethylpropan-1-aminium

Database identifiers

PubChem CID: 20281
DTXSID: DTXSID00859858
Nikkaji: J1.737.859G

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 16
Heavy atoms: 24
Formal charge: 1
Complexity: 344

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