W21
Summary
| Name: | N-(cyclopentanecarbonyl)-L-alanine |
| Formula: | C9 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 185.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(cyclopentanecarbonyl)-L-alanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(cyclopentylcarbonylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CCCC1C(NC(C(=O)O)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO3/c1-6(9(12)13)10-8(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | WLHVFWMGYCZXDM-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)C1CCCC1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)C1CCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)NC(=O)C1CCCC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)NC(=O)C1CCCC1 |
