N-Acetyl-L-tryptophanamide | SBID = 1933 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 88.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 191.0 | ||
| Sum Formula: | C13H15N3O2 | ||
| M / g/mol: | 245.28 | ||
| Complexity: | 332.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: N-Acetyl-L-tryptophanamide
- Preferred Abbreviation: N-Acetyl-L-Trp-NH2
- IUPAC Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanamide
- CAS: 2382-79-8
- CID: 94230
- InChiKey: HNGIZKAMDMBRKJ-LBPRGKRZSA-N
- InChi: InChI=1S/C13H15N3O2/c1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)/t12-/m0/s1
- CanoSmiles: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N
- IsoSmiles: CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N
