V8E
Summary
| Name: | (4-butanoylpiperazin-1-yl)acetic acid |
| Formula: | C10 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-butanoylpiperazin-1-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(4-butanoylpiperazin-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CN1CCN(CC1)C(=O)CCC |
| InChI | InChI | 1.06 | InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.06 | ACTLPSBNONXRJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)N1CCN(CC1)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCCC(=O)N1CCN(CC1)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)N1CCN(CC1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)N1CCN(CC1)CC(=O)O |
