Leucine-proline anhydride
PubChem CID: 57275499
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| Compound Synonyms | leucine-proline anhydride, SCHEMBL756555 |
|---|---|
| Topological Polar Surface Area | 81.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(2S)-2-amino-4-methylpentanoyl] (2S)-pyrrolidine-2-carboxylate |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Is Pains | False |
| Molecular Formula | C11H20N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QEDMGXHHRXIZDW-IUCAKERBSA-N |
| Fcsp3 | 0.8181818181818182 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Leucine-proline anhydride |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 228.147 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 228.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3823103999999997 |
| Inchi | InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)16-11(15)9-4-3-5-13-9/h7-9,13H,3-6,12H2,1-2H3/t8-,9-/m0/s1 |
| Smiles | CC(C)C[C@@H](C(=O)OC(=O)[C@@H]1CCCN1)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients