Chemical Component Summary

Name1,1-DIMETHYL-PROLINIUM
SynonymsPROLINE BETAINE
Identifiers(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
FormulaC7 H14 N O2
Molecular Weight144.192
TypeNON-POLYMER
Isomeric SMILESC[N+]1(CCC[C@H]1C(=O)O)C
InChIInChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
InChIKeyCMUNUTVVOOHQPW-LURJTMIESA-O

Chemical Details

Formal Charge1
Atom Count24
Chiral Atom Count1
Bond Count24
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04284 
NameL-proline betaine
Groups experimental
Synonyms
  • N,N-dimethyl-L-proline
  • (S)-2-carboxylato-1,1-dimethylpyrrolidinium
  • Stachydrine
  • Methyl hygrate betaine
  • L-stachydrine
Categories
  • Amino Acids
  • Amino Acids, Cyclic
  • Amino Acids, Peptides, and Proteins
  • Imino Acids
CAS number471-87-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Glycine betaine-binding periplasmic proteinMRHSVLFATAFATLISTQTFAADLPGKGITVNPVQSTITEETFQTLLVSR...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 448301
ChEBI CHEBI:44813
CCDC/CSD GEXTIM