(2S)-2-methoxypyrrolidine-1-carboxamide
PubChem CID: 92468673
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-methoxypyrrolidine-1-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C6H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NAIMNAZWFGBUDM-YFKPBYRVSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | 0.494 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.499 |
| Compound Name | (2S)-2-methoxypyrrolidine-1-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.09 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8475788000000002 |
| Inchi | InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1 |
| Smiles | CO[C@H]1CCCN1C(=O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients