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 |