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3-Aminopropanoic acid (PC000256)

Record Information
Version1.0
Creation date2015-10-09 22:29:29 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000256
FoodDB RecordFDB002253
Chemical Information
Name3-Aminopropanoic acid
Descriptionbeta-Alanine, also known as 3-aminopropanoate or bala, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. beta-Alanine is a very strong basic compound (based on its pKa). beta-Alanine exists in all living species, ranging from bacteria to humans. beta-Alanine is a sweet and odorless tasting compound. Outside of the human body, beta-Alanine is found, on average, in the highest concentration within a few different foods, such as beers, blackcurrants, and garden tomato (var.). beta-Alanine has also been detected, but not quantified in, several different foods, such as apples, bitter gourds, carrots, and sour cherries. This could make beta-alanine a potential biomarker for the consumption of these foods. beta-Alanine is a potentially toxic compound. beta-Alanine, with regard to humans, has been found to be associated with several diseases such as methylmalonate semialdehyde dehydrogenase deficiency, lewy body disease, crohn's disease, and perillyl alcohol administration for cancer treatment; beta-alanine has also been linked to the inborn metabolic disorder dihydropyrimidine dehydrogenase deficiency. A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position.
CAS Number107-95-9
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
β-alaninebiospider
β-aminopropionic acidbiospider
«omega»-aminopropionic acidbiospider
2-Carboxyethylaminebiospider
3-amino-Propanoatebiospider
3-amino-Propanoic acidbiospider
3-Aminopropanoatebiospider
3-Aminopropionatebiospider
3-Aminopropionic acidbiospider
Abufenebiospider
Abufene (TN)biospider
Alanine, βbiospider
Alanine, betabiospider
Alanine, beta-biospider
B-alaninebiospider
b-Alanine, 9CIdb_source
B-aminopropanoatebiospider
B-aminopropanoic acidbiospider
B-aminopropionatebiospider
B-aminopropionic acidbiospider
BALbiospider
BAlaChEBI
Beta alaninebiospider
Beta-alabiospider
Beta-alaninebiospider
beta-Alanine (6CI,8CI,9CI)biospider
beta-Alanine-beta-14Cbiospider
Beta-aminopropanoatebiospider
Beta-aminopropanoic acidbiospider
Beta-aminopropionatebiospider
Beta-aminopropionic acidbiospider
FEMA 3252db_source
H-b-Ala-OHGenerator
H-beta-Ala-OHChEBI
H-β-ala-OHGenerator
H2NCH2CH2COOHbiospider
Omega-aminopropionatebiospider
Omega-aminopropionic acidbiospider
Propanoic acid, 3-amino-biospider
β-alanineGenerator
β-aminopropionateGenerator
β-aminopropionic acidGenerator
Chemical FormulaC3H7NO2
IUPAC name3-aminopropanoic acid
InChI IdentifierInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChI KeyUCMIRNVEIXFBKS-UHFFFAOYSA-N
Isomeric SMILESNCCC(O)=O
Average Molecular Weight89.0932
Monoisotopic Molecular Weight89.047678473
Chemical Taxonomy
Description Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentBeta amino acids and derivatives
Alternative Parents
Substituents
  • Beta amino acid or derivatives
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-3.05TSAI,RS ET AL. (1991)
Experimental Water Solubility545 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 200° (197-198°)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci A148
Glentham GC1069
MetaSci HMDB0000056
Sigma-Aldrich HMDB0000056
Toronto Research Chemicals A637320