(3R,4S)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylic acid
PubChem CID: 1801303
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4S)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C7H14NO3+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | WTBNMEWVZFFAPJ-PHDIDXHHSA-O |
| Fcsp3 | 0.8571428571428571 |
| Logs | -0.013 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.418 |
| Compound Name | (3R,4S)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 160.097 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 160.097 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.46479659999999984 |
| Inchi | InChI=1S/C7H13NO3/c1-8(2)3-5(7(10)11)6(9)4-8/h5-6,9H,3-4H2,1-2H3/p+1/t5-,6-/m1/s1 |
| Smiles | C[N+]1(C[C@H]([C@@H](C1)O)C(=O)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crossosoma Bigelovii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Banksii (Plant) Rel Props:Source_db:cmaup_ingredients