(2S,4S)-4-hydroxy-5-oxo-2-[(trimethylazaniumyl)methyl]pyrrolidine-2-carboxylate
PubChem CID: 11390294
Connections displayed (default: 10).
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| Topological Polar Surface Area | 89.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4S)-4-hydroxy-5-oxo-2-[(trimethylazaniumyl)methyl]pyrrolidine-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C9H16N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YELMLJGVAMYPML-RCOVLWMOSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -0.13 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.821 |
| Compound Name | (2S,4S)-4-hydroxy-5-oxo-2-[(trimethylazaniumyl)methyl]pyrrolidine-2-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.111 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 216.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8377693999999998 |
| Inchi | InChI=1S/C9H16N2O4/c1-11(2,3)5-9(8(14)15)4-6(12)7(13)10-9/h6,12H,4-5H2,1-3H3,(H-,10,13,14,15)/t6-,9-/m0/s1 |
| Smiles | C[N+](C)(C)C[C@@]1(C[C@@H](C(=O)N1)O)C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients