N-Acetyl-D-Tryptophan | SBID = 74 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 82.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 190.3 | ||
| Sum Formula: | C13H14N2O3 | ||
| M / g/mol: | 246.266 | ||
| Complexity: | 332.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, amino acid, typical guest
- Name: N-Acetyl-D-Tryptophan
- Preferred Abbreviation: N-Acetyl-D-Trp
- IUPAC Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
- CAS: 2280-01-5
- CID: 439917
- InChiKey: DZTHIGRZJZPRDV-GFCCVEGCSA-N
- InChi: InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1
- CanoSmiles: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
- IsoSmiles: CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O
