3-Indolepropionic acid | SBID = 63 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 53.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 150.6 | ||
| Sum Formula: | C11H11NO2 | ||
| M / g/mol: | 189.214 | ||
| Complexity: | 217.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: drug, typical guest
- Name: 3-Indolepropionic acid
- Preferred Abbreviation: 3-Indolepropionic acid
- IUPAC Name: 3-(1H-indol-3-yl)propanoic acid
- CAS: 830-96-6
- CID: 3744
- InChiKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N
- InChi: 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)
- CanoSmiles: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
- IsoSmiles: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
