OIA
Summary
| Name: | [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid |
| Formula: | C10 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 191.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid |
| OpenEye OEToolkits | 2.0.4 | 2-[(3~{S})-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CC2c1ccccc1NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ILGMGHZPXRDCCS-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1C(=O)Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1C(=O)Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(C(=O)N2)CC(=O)O |
