0XL
Summary
| Name: | 2-amino-2-ethylbutanoic acid |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-2-ethylbutanoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-2-ethyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9) |
| InChIKey | InChI | 1.03 | KWOMLHIFHFWBSB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(N)(CC)C(O)=O |
| SMILES | CACTVS | 3.370 | CCC(N)(CC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(CC)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(CC)(C(=O)O)N |
