This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Betaine

PubChem CID: 247

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms betaine, 107-43-7, glycine betaine, oxyneurine, Trimethylglycine, lycine, Abromine, Trimethylglycocoll, Glycocoll betaine, Glycylbetaine, BETAINE, ANHYDROUS, Rubrine C, Jortaine, 2-(trimethylazaniumyl)acetate, acidin-pepsin, alpha-Earleine, trimethylammonioacetate, N,N,N-trimethylglycine, 2-(Trimethylammonio)Acetate, Glycine, trimethylbetaine, Loramine AMB 13, Betaine anhydrous, Trimethylaminoacetic acid, (Trimethylammonio)acetate, Trimethylaminoacetate, Acidol, Glykokollbetain, Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, 2-trimethylammonioacetate, Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, Glykokollbetain [German], GLYCINEBETAINE, AI3-24187, AI3-52598, N,N,N-trimethylammonioacetate, MFCD00012123, CHEBI:17750, BRN 3537113, HSDB 7467, (Carboxymethyl)trimethylammonium hydroxide, inner salt, EINECS 203-490-6, UNII-3SCV180C9W, Betafin, NSC 166511, 3SCV180C9W, DTXSID8022666, 2-N,N,N-trimethylammonio acetate, 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt, 1-Carboxy-N,N,N-trimethylmethanaminium hydroxide, inner salt, (trimethylammoniumyl)acetate, NSC-166511, 2-(trimethylamino)acetic acid, (Carboxymethyl)trimethylammonium, DTXCID602666, EC 203-490-6, 1-Carboxy-N,N,N-trimethylmethanaminium inner salt, 4-04-00-02369 (Beilstein Handbook Reference), Aminocoat, Betaine (JAN), Greenstim, FinnStim, NSC166511, Betafin BP, Betafin BCR, Novobetaine, .alpha.-Earleine, Hepastyl, BETAINE [JAN], Methanaminium, 1-carboxy-N,N,N-trimethyl-, BETAINE (MART.), BETAINE [MART.], BETAINE (USP-RS), BETAINE [USP-RS], (Carboxymethyl)trimethylammonium hydroxide inner salt, Betaine, Glycine, FEMA NO. 4223, CAS-107-43-7, NCGC00015150-03, trimethylglycocoll anhydride, betaina anhidra, Betaineanhydrous, .beta.ine, 3mam, 3ppp, Cystadane (TN), Betaine,(S), Betaine (8CI), Aquadew AN 100, ATONO2 Oxygen Baby, 3l6h, BETAINE [VANDF], BETAINE [FHFI], BETAINE [HSDB], BETAINE [FCC], BETAINE [MI], BET, BETAINE [WHO-DD], bmse000069, bmse000948, bmse000997, SCHEMBL7739, CHEMBL1182, BETAINE [ORANGE BOOK], GTPL4550, Dr.Jucre Rebirth Activating Toner, BCP21888, Betaine Anhydrous For Oral Solution, HY-B0710, Tox21_113511, Tox21_301159, BDBM50103520, BETAINE ANHYDROUS [EMA EPAR], STK372904, AKOS005206774, CCG-266068, DB06756, FB37571, SDCCGMLS-0066923.P001, NCGC00178605-01, NCGC00178605-02, NCGC00178605-03, NCGC00178605-08, NCGC00255057-01, Abromine, Lycine, Trimethylglycine (TMG), AS-12941, SY011295, (Carboxymethyl)trimethylammonium inner salt, B0455, NS00002774, WLN: QV1K1 & 1 & 1 & Q, C00719, D07523, EN300-301715, AB00053634_03, methanaminium, carboxy-N,N,N-trimethyl-, inner salt, Methanaminium,N,N-trimethyl-, hydroxide, inner salt, (Carboxymethyl)trimethylammonium inner salt, Oxyneurine, Q10860583, Z2289798098, Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt (9CI), 203-490-6
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 40.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Aminoacids
Deep Smiles [O-]C=O)C[N+]C)C)C
Heavy Atom Count 8.0
Pathway Kegg Map Id map00260, map00270
Classyfire Class Carboxylic acids and derivatives
Description Betaine or trimethylglycine is a methylated derivative of glycine. It functions as a methyl donor in that it carries and donates methyl functional groups to facilitate necessary chemical processes. The donation of methyl groups is important to proper liver function, cellular replication, and detoxification reactions. Betaine also plays a role in the manufacture of carnitine and serves to protect the kidneys from damage. Betaine has also been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th Ed, p1341). Betaine is found in many foods, some of which are potato puffs, poppy, hazelnut, and garden cress.
Classyfire Subclass Amino acids, peptides, and analogues
Isotope Atom Count 0.0
Molecular Complexity 87.6
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16473, Q96QE3, Q96KQ7, O15648, P83916, n.a., Q7Z2H8, O70594, Q9Z0E8, Q9WTN6, O70127, O95342, P08684, P10635, P11712
Iupac Name 2-(trimethylazaniumyl)acetate
Prediction Hob 0.0
Class Carboxylic acids and derivatives
Veber Rule True
Classyfire Superclass Organic acids and derivatives
Target Id NPT210, NPT1006
Xlogp 0.5
Superclass Organic acids and derivatives
Subclass Amino acids, peptides, and analogues
Gsk 4 400 Rule True
Molecular Formula C5H11NO2
Prediction Swissadme 0.0
Inchi Key KWIUHFFTVRNATP-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -4.656
Rotatable Bond Count 1.0
State Solid
Logd 4.969
Synonyms (carboxymethyl)trimethylammonium hydroxide inner salt, (carboxymethyl)trimethylammonium hydroxide, inner salt, (carboxymethyl)trimethylammonium inner salt, (trimethyl-&alpha, -earleine, (trimethylammonio)acetate, (trimethylammoniumyl)acetate, (Trimethylammoniumyl)acetic acid, &alpha, -earleine, &beta, ine, &beta, ine (van), 1-carboxy-N,N,N-trimethyl-Methanaminium, 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide, 1-Carboxy-N,N,N-trimethylmethanaminium inner salt, 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt, 2-N,N,N-Trimethylammonio acetate, 2-N,N,N-Trimethylammonio acetic acid, A-earleine, Abromine, Acidin-pepsin, Acidol, Alpha-earleine, Aminocoat, Aquadew AN 100, Bet, Betafin, Betafin BCR, Betafin BP, Betaine, Betaine (8CI), Betaine hydrochloride, Betaine, anhydrous, Betainum muriaticum, Cystadane, Cystadane (TN), Ektasolve ee, Finnstim, Glycine &beta, ine, Glycine betaine, Glycine, trimethyl&beta, ine, Glycine, trimethylbetaine, Glycocoll &beta, ine, Glycocoll betaine, GLYCYL&beta, ine, Glycylbetaine, Glykokollbetain, Greenstim, Jortaine, Loramine amb 13, Loramine AMB-13, Lycine, Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt (9CI), Methanaminium, carboxy-n,n,n-trimethyl-, inner salt, N,n,n-trimethylammonioacetate, N,N,N-Trimethylammonioacetic acid, N,n,n-trimethylglycine, Oxyneurine, Rubrine c, Trimethylaminoacetate, Trimethylaminoacetic acid, Trimethylammonioacetate, Trimethylammonioacetic acid, Trimethylbetaine glycine, Trimethylglycine, Trimethylglycocoll, Trimethylglycocoll anhydride, betain, betaine, glycine betaine, glycine-betaine, lycine, trimethylglycine
Substituent Name Alpha-amino acid, Quaternary ammonium salt, Carboxylic acid salt, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Organic salt, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Organic zwitterion, Aliphatic acyclic compound
Esol Class Very soluble
Functional Groups CC(=O)[O-], C[N+](C)(C)C
Compound Name Betaine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 117.079
Formal Charge 0.0
Monoisotopic Mass 117.079
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 117.15
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -0.9131175999999998
Inchi InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
Smiles C[N+](C)(C)CC(=O)[O-]
Nring 2.0
Np Classifier Biosynthetic Pathway Amino acids and Peptides
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Small peptides

Back to Browse   Back to Home