(2R)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-methylbutanamide
PubChem CID: 162910869
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| Topological Polar Surface Area | 32.299 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-methylbutanamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C12H22N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JBALUFGTAJXLSF-MXWKQRLJSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -1.129 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.983 |
| Compound Name | (2R)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-methylbutanamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 210.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2437902 |
| Inchi | InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-6-8-14-7-4-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t9-,10-,11+/m1/s1 |
| Smiles | CC[C@@H](C)C(=O)N[C@@H]1CCN2[C@H]1CCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amaranthus Spinosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Dilatatum (Plant) Rel Props:Source_db:cmaup_ingredients