NMI
Summary
| Name: | 3-(1-methyl-1H-indol-3-yl)propanoic acid |
| Formula: | C12 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 203.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1-methyl-1H-indol-3-yl)propanoic acid |
| OpenEye OEToolkits | 1.9.2 | 3-(1-methylindol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc2c1ccccc1n(c2)C |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | VVKVBQDZJLGAFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CCC(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | Cn1cc(CCC(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1cc(c2c1cccc2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1cc(c2c1cccc2)CCC(=O)O |
