BAL
Summary
| Name: | BETA-ALANINE |
| Formula: | C3 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 89.093 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | beta-alanine |
| OpenEye OEToolkits | 1.7.0 | 3-azanylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCC(O)=O |
| SMILES | CACTVS | 3.370 | NCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CN)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CN)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
| InChIKey | InChI | 1.03 | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
