IOP
Summary
| Name: | INDOLYLPROPIONIC ACID |
| Formula: | C11 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(1H-indol-3-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | OC(=O)CCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) |
| InChIKey | InChI | 1.03 | GOLXRNDWAUTYKT-UHFFFAOYSA-N |
