Compound: betaine
SMILES: O=C([O-])C[N+](C)(C)C
InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N
Synonyms: betaine, 107-43-7, glycine betaine, oxyneurine, Trimethylglycine, lycine, Abromine, Trimethylglycocoll, Glycocoll betaine, Glycylbetaine, Rubrine C, 2-(trimethylazaniumyl)acetate, (Trimethylammonio)acetate, 2-(Trimethylammonio)Acetate, Jortaine, BETAINE, ANHYDROUS, Betaine anhydrous, trimethylammonioacetate, N,N,N-trimethylglycine, Trimethylaminoacetic acid, Glycine, trimethylbetaine, Loramine AMB 13, Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, Trimethylaminoacetate, Acidol, Glykokollbetain, N,N,N-trimethylammonioacetate, (Carboxymethyl)trimethylammonium hydroxide, inner salt, 3SCV180C9W, DTXSID8022666, CHEBI:17750, 2-N,N,N-trimethylammonio acetate, NSC-166511, DTXCID602666, FEMA NO. 4223, NSC166511, Acidin Pepsin, AcidinPepsin, Betaine, Glycine, Stea16, ATONO2 Oxygen Baby, RefChem:5604, Dr.Jucre Rebirth Activating Toner, Betaine Anhydrous For Oral Solution, Anbiser B-HA HYALURONIC ACID SKIN HYDRATION ESSENCE, 203-490-6, 1,2-HEXANEDIOL; BETAINE; CAPRYLYL GLYCOL; GLYCERIN; HYALURONATE SODIUM; N-ACETYLGLUCOSAMINE; OAT; PROPYLENE GLYCOL; SKYRIN; SORBITOL, Trimethyl Glycine, alpha-Earleine, acidin-pepsin, Cystadane, Glykokollbetain [German], Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, MFCD00012123, AI3-24187, AI3-52598, Betafin, BRN 3537113, GLYCINEBETAINE, 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt, 2-(trimethylamino)acetic acid, 1-Carboxy-N,N,N-trimethylmethanaminium hydroxide, inner salt, Aminocoat, Betaine (JAN), Greenstim, FinnStim, Betafin BP, Betafin BCR, .alpha.-Earleine, (Carboxymethyl)trimethylammonium inner salt, BETAINE [JAN], (Carboxymethyl)trimethylammonium hydroxide inner salt, Novobetaine, Hepastyl, 1-Carboxy-N,N,N-trimethylmethanaminium inner salt, CAS-107-43-7, HSDB 7467, 2-trimethylammonioacetate, NCGC00015150-03, EINECS 203-490-6, trimethylglycocoll anhydride, NSC 166511, UNII-3SCV180C9W, Betaineanhydrous, .beta.ine, 3mam, 3ppp, Cystadane (TN), N-TRIMETHYLGLYCINE HYDROXIDE, Betaine (Betaina), Betaine (8CI), Aquadew AN 100, 3l6h, BETAINE [VANDF], BETAINE [FHFI], BETAINE [HSDB], BETAINE [FCC], BETAINE [MI], BET, BETAINE [MART.], BETAINE [USP-RS], BETAINE [WHO-DD], (Trimethylazaniumyl)acetate, bmse000069, bmse000948, bmse000997, (trimethylammoniumyl)acetate, EC 203-490-6, SCHEMBL7739, CHEMBL1182, 4-04-00-02369 (Beilstein Handbook Reference), BETAINE [ORANGE BOOK], (Carboxymethyl)trimethylammonium, GTPL4550, orb1304389, orb3140686, HMS5082E09, HY-B0710, Tox21_113511, Tox21_301159, BDBM50103520, BETAINE ANHYDROUS [EMA EPAR], EBC-26047, SBB060872, STK372904, AKOS005206774, CCG-266068, DB06756, FB37571, MSK000068-100A, SDCCGMLS-0066923.P001, MSK000068-1000A, NCGC00178605-01, NCGC00178605-02, NCGC00178605-03, NCGC00178605-08, NCGC00255057-01, AS-12941, SY011295, Methanaminium, 1-carboxy-N,N,N-trimethyl-, B0455, Betaine Solution in Acetonitrile, 100ug/mL, NS00002774, ST51046970, WLN: QV1K1 & 1 & 1 & Q, Betaine Solution in Acetonitrile, 1000ug/mL, C00719, D07523, EN300-301715, AB00053634_03, F462676, 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)
Theoretical properties:
molecular_formula: C5H11NO2
molecular_weight: 117.15 g/mol
exact_mass: 117.078978594 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 8
topological_polar_surface_area: 40.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Deliquescent scales or prisms
color: Deliquescent scales or prisms
melting_point: 301-305°C
solubility: Soluble
vapor_pressure: 0.00000053 [mmHg]
Descriptions:
pubchem: Glycine betaine is the amino acid betaine derived from glycine. It has a role as a fundamental metabolite. It is an amino-acid betaine and a glycine derivative. It is a conjugate base of a N,N,N-trimethylglycinium.
chebi: The amino acid betaine derived from glycine.
chembl: GLYCINEBETAINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: A betaine () is any neutral chemical compound with a positively charged cationic functional group that bears no hydrogen atom, such as a quaternary ammonium or phosphonium cation (generally: onium ions), and with a negatively charged functional group, such as a carboxylate group that may not be adjacent to the cationic site. Historically, the term was reserved for trimethylglycine (TMG), which is involved in methylation reactions and detoxification of homocysteine. This is a modified amino acid consisting of glycine with three methyl groups serving as methyl donor for various metabolic pathways.