N,N,N-trimethylglycinium
PubChem CID: 248
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| Compound Synonyms | TRIMETHYL GLYCINE, N,N,N-trimethylglycinium, Cystadane, carboxymethyl(trimethyl)azanium, carboxy-N,N,N-trimethylmethanaminium, Loramine AMB-13, CHEBI:41139, 6640-00-2, Aminocoat, Betafin, Greenstim, FinnStim, Betafin BP, Betafin BCR, .alpha.-Earleine, (Carboxymethyl)trimethylammonium hydroxide inner salt, FEMA NO. 4223, NCGC00015150-03, NCGC00015150-04, BET, 1-carboxy-n,n,n-trimethyl-methanaminium, a-Earleine, Acidin Pepsin, SR-01000075714, Spectrum_001264, trimethylbetaine Glycine, 1r9l, 1sw2, 2b4l, Spectrum2_000880, Spectrum4_000735, Spectrum5_001577, Lopac-B-3501, (Trimethylammonio)acetate #, NCIOpen2_001196, Lopac0_000172, BSPBio_002550, KBioGR_001030, KBioSS_001744, AMMONIUM (CARBOXYMETHYL)-TRIMETHYL-PALMITATE, (carboxymethyl)trimethylazanium, CHEMBL95889, DivK1c_000642, SCHEMBL134333, SPBio_000959, KBio1_000642, KBio2_001744, KBio2_004312, KBio2_006880, DTXSID40859190, KWIUHFFTVRNATP-UHFFFAOYSA-O, NINDS_000642, NSC12179, NSC87835, BDBM50357226, NSC-12179, NSC-87835, CCG-204267, DB04455, Betaine, BioUltra, >=99.0% (NT), IDI1_000642, NCGC00015150-01, NCGC00015150-02, NCGC00162080-01, SBI-0050160.P003, Betaine, >=98% (perchloric acid titration), NS00068580, S3755, 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide, Betaine, certified reference material, TraceCERT(R), SR-01000075714-8, BRD-K12014493-001-02-2, Q27095239, Betaine, United States Pharmacopeia (USP) Reference Standard, 6915-17-9 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.1 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q8NE62, P49419, Q93088, P48065, Q9H2M3 |
| Iupac Name | carboxymethyl(trimethyl)azanium |
| Prediction Hob | 0.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -0.1 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H12NO2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWIUHFFTVRNATP-UHFFFAOYSA-O |
| Fcsp3 | 0.8 |
| Logs | -4.467 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 4.18 |
| Synonyms | TRIMETHYL glycine, Acidin pepsin, Acidin-pepsin, AcidinPepsin, Betaine, Betaine hydrochloride, Betaine, glycine, C.B.B., Citrate de bétaïne beaufour, Citrate de bétaïne upsa, Cystadane, Glycine betaine, Hepastyl, Hydrochloride, betaine, Lycine, Novobetaine, Oxyneurine, Scorbo bétaïne, Scorbo-bétaïne, Scorbobétaïne, Stea 16, Stea-16, Stea16, Trimethylammonioacetic acid, Betaine orphan brand, Byk brand OF betaine phosphate, Fournier brand OF betaine ascorbate and hydrate, Beaufour brand OF betaine citrate, Boizot brand OF betaine aspartate, Logeais brand OF betaine cyclobutyrate, UPSA brand OF betaine citrate, Orphan brand OF betaine, N,N,N-Trimethylglycine, Trimethylaminoacetate, Trimethylammonioacetate |
| Compound Name | N,N,N-trimethylglycinium |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.087 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 118.087 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 118.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.35866719999999985 |
| Inchi | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1 |
| Smiles | C[N+](C)(C)CC(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Agave Aurea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ajuga Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Alstroemeria Revoluta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Althaea Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Amaranthus Caudatus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Aniba Duckei (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Astragalus Tragacantha (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Baphia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Callistemon Viminalis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Cissus Pallidiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Conyza Bonariensis (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Crataegus Davisii (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Crinum Erubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Cupressus Lawsoniana (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Dictamnus Gymnostylis (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Emilia Sonchifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Encephalartos Altensteinii (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Eria Foetida (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Eupatorium Havanense (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Euphorbia Kamerunica (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Euphorbia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Excoecaria Oppositifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Firmiana Simplex (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Gardenia Collinsae (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Grindelia Acutifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Gymnosporia Senegalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Isodon Gesneroides (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Jungermannia Hyalina (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Kobresia Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 32. Outgoing r'ship
FOUND_INto/from Ligularia Muliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 33. Outgoing r'ship
FOUND_INto/from Litsea Aciculata (Plant) Rel Props:Source_db:cmaup_ingredients - 34. Outgoing r'ship
FOUND_INto/from Litsea Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients - 35. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 36. Outgoing r'ship
FOUND_INto/from Marrubium Alysson (Plant) Rel Props:Source_db:cmaup_ingredients - 37. Outgoing r'ship
FOUND_INto/from Melampodium Heterophyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 38. Outgoing r'ship
FOUND_INto/from Nama Johnstonii (Plant) Rel Props:Source_db:cmaup_ingredients - 39. Outgoing r'ship
FOUND_INto/from Nuphar Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 40. Outgoing r'ship
FOUND_INto/from Pausinystalia Mayumbensis (Plant) Rel Props:Source_db:cmaup_ingredients - 41. Outgoing r'ship
FOUND_INto/from Pentzia Incana (Plant) Rel Props:Source_db:cmaup_ingredients - 42. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 43. Outgoing r'ship
FOUND_INto/from Prangos Pabularia (Plant) Rel Props:Source_db:cmaup_ingredients - 44. Outgoing r'ship
FOUND_INto/from Pronephrium Triphyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 45. Outgoing r'ship
FOUND_INto/from Selliguea Feei (Plant) Rel Props:Source_db:cmaup_ingredients - 46. Outgoing r'ship
FOUND_INto/from Shuteria Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients - 47. Outgoing r'ship
FOUND_INto/from Simaba Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 48. Outgoing r'ship
FOUND_INto/from Sophora Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 49. Outgoing r'ship
FOUND_INto/from Stevia Chamaedrys (Plant) Rel Props:Source_db:cmaup_ingredients - 50. Outgoing r'ship
FOUND_INto/from Teucrium Oxylepis (Plant) Rel Props:Source_db:cmaup_ingredients - 51. Outgoing r'ship
FOUND_INto/from Trifolium Subterraneum (Plant) Rel Props:Source_db:cmaup_ingredients - 52. Outgoing r'ship
FOUND_INto/from Trillium Camschatcense (Plant) Rel Props:Source_db:cmaup_ingredients - 53. Outgoing r'ship
FOUND_INto/from Ursinia Abrotanifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 54. Outgoing r'ship
FOUND_INto/from Virola Sebifera (Plant) Rel Props:Source_db:cmaup_ingredients