BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-carboxypropyl-trimethyl-ammonium

Graphical representations:

3-carboxypropyl-trimethyl-ammonium image

Molecular Formula: C7 H16 N O2 +

Natural Isotopic Abundance Mass: 146.20744

Mono-Isotopic Molecular Masses:

  • C12N14: 146.118103763
  • C13N14: 153.1415876276
  • C12N15: 147.1151386562
  • C13N15: 154.1386225208

InCHi String: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1

canonical and isomeric SMILES: C[N+](C)(C)CCCC(=O)O

PUBCHEM iupac NAME
3-carboxypropyl(trimethyl)azanium

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
3-carboxypropyl(trimethyl)ammonium

PUBCHEM iupac SYSTEMATIC NAME
trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium

PubChem Substance (SID):   126596834   24864895   32843995
PubChem Compound (CID):   134
KEGG: Compound ID   C01181
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 6249-56-5   MMCD cq_00810   MDL number MFCD00011905   Sigma-Aldrich 403245_ALDRICH   ChemSpider 14090229

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.