Compound: 3-Aminobutanoic acid
SMILES: O=C(O)CC(N)C
InChIKey: OQEBBZSWEGYTPG-UHFFFAOYSA-N
Synonyms: 3-Aminobutanoic acid, 541-48-0, 3-Aminobutyric acid, beta-Aminobutyric acid, Butanoic acid, 3-amino-, 3-methyl-beta-alanine, 4282SA5CTS, NSC-77380, DTXSID4040975, CHEBI:37081, BABA cpd, RefChem:567257, DTXCID2020975, 208-783-2, 220-617-0, DL-3-Aminobutyric acid, 2835-82-7, DL-3-AMINO-N-BUTYRIC ACID, DL-3-aminobutanoic acid, BABA, DL-beta-homo-alanine, (+/-)-3-Aminobutyric acid, MFCD00008087, Carbocreatine, Butyric acid, 3-amino-, 3-amino-butyric acid, 3-Amino-Butanoic acid, rac 3-Aminobutyric Acid, dl-beta-Amino-n-butyric acid, DL-.beta.-Aminobutyric acid, (+/-)-3-aminobutanoic acid, NSC 77380, 167222-96-0, (3S)-3-Amino-butanoic acid, DL-beta-Aminobutyric acid, R-3-Aminobutyric acid, ss-Aminobutyric acid; 3-Aminobutanoic acid, EINECS 208-783-2, EINECS 220-617-0, UNII-4282SA5CTS, b-Homoalanine, AI3-26821, Butyric acid, 3-amino-, DL-, dl-3-Aminobutyric, DL-.beta.-Aminobutyrate, .beta.-Aminobutyric acid, Dolutegravir Intermediates, .beta.-Aminobutanoic acid, 3-Amino-DL-Butyric acid, DL-Beta-Aminobutyric Acid DL-3-Aminobutyric Acid, SCHEMBL44574, .beta.-Amino-n-butyric acid, 3-Aminobutanoic acid, 97%, Butyric acid, (.+-.)-, MLS000069399, (3R)-3-Amino-butanoic acid, .beta.-Methyl-.beta.-alanine, orb1296992, SCHEMBL1917698, SCHEMBL6365087, 3-AMINO-N-BUTYRIC ACID, CHEMBL1995111, dl-.beta.-Amino-n-butyric acid, SCHEMBL11585528, SCHEMBL27485857, 3-METHYL-.BETA.-ALANINE, 3-Amino-(.+-.)-Butyric acid, beta-AMINOBUTYRIC ACID [MI], 3-Amino-(.+-.)-Butanoic acid, (RS)-3-AMINOBUTANOIC ACID, (.+-.)-.beta.-Aminobutyric acid, ALBB-014344, NSC77380, BUTYRIC ACID, .BETA.-AMINO-, MSK163817, SBB065941, AKOS005174346, AB87426, AB87563, Butyric acid, 3-amino-, (.+-.)-, CS-W009549, EBC-613082, FA33376, HY-W008833, (+/-)-3-AMINO-N-BUTYRIC ACID, (+/-)-.BETA.-AMINOBUTYRIC ACID, AS-11703, BETA-AMINOBUTYRIC ACID, (+/-)-, NCI60_041705, SMR000058404, SY022577, DB-105356, DB-105357, A0281, NS00032974, NS00083648, EN300-23041, F208617, Q3604567, 3-Aminobutanoic acid, Vetec(TM) reagent grade, 97%, Z147647144, 0B9FE31A-1286-4B2B-B64E-4A3871898B12
Theoretical properties:
molecular_formula: C4H9NO2
molecular_weight: 103.12 g/mol
exact_mass: 103.063328530 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 63.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 193.0 °C
solubility: 1000 mg/mL at 25 °C
Descriptions:
pubchem: 3-aminobutanoic acid is a beta-amino acid that is butyric acid which is substituted by an amino group at position 3. It has a role as a metabolite. It is a monocarboxylic acid and a beta-amino acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-aminobutyrate. It is a tautomer of a 3-aminobutanoic acid zwitterion.
chebi: An amino acid zwitterion that is 3-aminobutanoic acid in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: GABA (gamma-aminobutyric acid, γ-aminobutyric acid) is the chief inhibitory neurotransmitter in the developmentally mature mammalian central nervous system. Its principal role is reducing neuronal excitability throughout the nervous system.
GABA is sold as a dietary supplement in many countries. It has been traditionally thought that exogenous GABA (i.e., taken as a supplement) does not cross the blood–brain barrier, but data obtained from more recent research (2010s) in rats describes the notion as being unclear.
The carboxylate form of GABA is γ-aminobutyrate.