(3s)2,3-Dihydro-l-tryptophan
PubChem CID: 56844224
Connections displayed (default: 10).
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| Compound Synonyms | (3s)2,3-dihydro-l-tryptophan |
|---|---|
| Topological Polar Surface Area | 75.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-3-[(3S)-2,3-dihydro-1H-indol-3-yl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.5 |
| Molecular Formula | C11H14N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPHNJDOWMOXSMT-APPZFPTMSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -1.761 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.633 |
| Compound Name | (3s)2,3-Dihydro-l-tryptophan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.106 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2717189999999997 |
| Inchi | InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1 |
| Smiles | C1[C@H](C2=CC=CC=C2N1)C[C@@H](C(=O)O)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Piper Kadsura (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients