2JH
Summary
| Name: | 3-cyclobutyl-L-alanine |
| Formula: | C7 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 143.184 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-cyclobutyl-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-cyclobutyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC1CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | SRGOJUDAJKUDAZ-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1CCC1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1CCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC(C1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(C1)CC(C(=O)O)N |
