L-Tryptophan methyl ester | SBID = 61 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 68.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 172.0 | ||
| Sum Formula: | C12H14N2O2 | ||
| M / g/mol: | 218.256 | ||
| Complexity: | 257.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, typical guest, amino acid
- Name: L-Tryptophan methyl ester
- Preferred Abbreviation: L-Trp-OMe
- IUPAC Name: methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
- CAS: 4299-70-1
- CID: 77980
- InChiKey: KCUNTYMNJVXYKZ-JTQLQIEISA-N
- InChi: InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1
- CanoSmiles: COC(=O)C(CC1=CNC2=CC=CC=C21)N
- IsoSmiles: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
