| Pubchem ID | 239 |
|---|---|
| CAS | 107-95-9 |
| IUPAC name | 3-aminopropanoic acid |
| Synonyms | Carboxyethylamine|.beta.-Alanine|Propanoic acid, 3-amino-|Alanine, beta-|3-Aminopropionsaeure|beta-Ala|beta-Aminopropionsaeure|omega-Aminopropionic acid|3-Aminopropanoate |
| Categories | Flavor enhancer |
| SMILES | C(CN)C(=O)O |
| InCheykey | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 89.094 | 2 | 3 | 2 | 63.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |