Compound: beta-alanine
SMILES: O=C(O)CCN
InChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N
Synonyms: beta-alanine, 3-Aminopropanoic acid, 107-95-9, 3-Aminopropionic acid, Abufene, Beta Alanine, beta-Aminopropionic acid, 2-Carboxyethylamine, omega-Aminopropionic acid, 3-Aminopropanoate, FEMA No. 3252, 11P2JDE17B, NSC-7603, DTXSID0030823, CHEBI:16958, 3 Aminopropionic Acid, I2-Alanine, RefChem:567109, beta Alanine Hydrochloride, Hydrochloride, beta-Alanine, beta Alanine, Monosodium Salt, DTXCID8010823, beta Alanine, Monopotassium Salt, 203-536-5, 3-ammoniopropanoate, 3-azaniumylpropanoate, H-beta-Ala-OH, beta-Ala, Alanine, beta-, .beta.-Alanine, Propanoic acid, 3-amino-, 3-Aminopropionsaeure, beta-Aminopropionsaeure, B-ALANINE, .beta.-Aminopropionic acid, MFCD00008200, AI3-18470, NSC 7603, 87867-95-6, 3-amino-propionic acid, CHEMBL297569, NSC7603, 3-Aminopropanoic Acid (beta-Alanine), beta-alanin, 25513-34-2, ALANINE, BETA, EINECS 203-536-5, UNII-11P2JDE17B, Alanine-beta, beta -alanine, beta- alanine, beta--alanine, -Alanine, b-Aminopropanoate, b-Aminopropionate, beta-Alanine #, 3-Aminopropionate, aminopropionic acid, b-Ala, 3-amino-Propanoate, Beta Alanine; Pamidronate Disodium Pentahydrate Imp. A (EP); Pamidronate Imp. A (EP); Calcium Pantothenate Impurity A; Pamidronate Disodium Pentahydrate Impurity A; Pamidronate Impurity A, beta-Aminopropanoate, beta-Aminopropionate, |_-Alanine, A-Ala, Abufene (TN), omega-Aminopropionate, b-Aminopropanoic acid, b-Aminopropionic acid, beta-Alanine, 99%, H-fA-Ala-OH, Tocris-0206, 3-amino-Propanoic acid, Propanoic acid, amino-, beta-Aminopropanoic acid, |A-Alanine (Standard), H2NCH2CH2COOH, bmse000159, bmse000967, bmse001019, ALANINE, .BETA.-, EC 203-536-5, .omega.-Aminopropionic acid, Oprea1_583450, SCHEMBL21500, SCHEMBL26894, BETA-ALANINE [VANDF], SCHEMBL313222, SCHEMBL442374, SCHEMBL444666, .BETA.-ALANINE [MI], BETA ALANINE [USP-RS], BETA-ALANINE [WHO-DD], beta-Alanine, >=98%, FG, GTPL2365, orb1310436, orb3141118, SCHEMBL1536551, SCHEMBL7030652, SCHEMBL7606892, SCHEMBL8352608, .BETA.-ALANINE [FHFI], 3-aminopropanoic acidbeta-alanine, HY-N0230R, beta-Alanine (6CI,8CI,9CI), beta-Alanine, analytical standard, MSK1430, HY-N0230, STR03358, BBL037332, BDBM50000102, EBC-03033, PDSP1_000144, PDSP2_000143, s5526, STK301638, AKOS000119659, CS-W020126, DB03107, FA10356, NCGC00024495-01, NCGC00024495-02, BP-10083, beta-Alanine, BioXtra, >=99.0% (NT), beta-Alanine, BioUltra, >=99.0% (NT), DB-022630, A0180, NS00009116, 3-Aminopropanoic Acid; Glycine EP Impurity E, beta-Alanine(Discontinued,See C4X-161310), EN300-18046, C00099, D07561, F86478, F044720, Q310919, SR-01000597690, SR-01000597690-1, Z57127544, F2191-0213, 7CA041EF-5103-439A-9D84-1761529BA8DA, beta-Alanine, United States Pharmacopeia (USP) Reference Standard, InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6, PAMIDRONATE DISODIUM PENTAHYDRATE IMPURITY A [EP IMPURITY], Beta Alanine, Pharmaceutical Secondary Standard; Certified Reference Material, beta-Alanine, BioReagent, suitable for cell culture, suitable for insect cell culture
Theoretical properties:
molecular_formula: C3H7NO2
molecular_weight: 89.09 g/mol
exact_mass: 89.047678466 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 6
topological_polar_surface_area: 63.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.00000005 [mmHg]
Descriptions:
pubchem: Beta-alanine is a naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. It has a role as a neurotransmitter, an inhibitor, an agonist, a human metabolite and a fundamental metabolite. It is a conjugate acid of a beta-alaninate. It is a tautomer of a beta-alanine zwitterion.
chebi: A naturally-occurring β-amino acid comprising propionic acid with the amino group in the 3-position.
chembl: BETA-ALANINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: β-Alanine (beta-alanine) is a naturally occurring beta amino acid. Beta amino acids are amino acids in which the amino group is attached to the β-carbon atom (i.e. the carbon atom two carbon atoms away from the carboxylate group) instead of the more usual α-carbon atom for alanine (α-alanine).  The IUPAC name for β-alanine is 3-aminopropanoic acid.  Unlike its counterpart α-alanine, β-alanine has no stereocenter.