N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine
PubChem CID: 122391322
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEBI:133871, N(5)-anhydromevalonyl-N(5)-hydroxyornithine, N(5)-anhydromevalonyl-N(5)-hydroxy-L-ornithine, N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.0 |
| Molecular Formula | C11H20N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRFIKQWBKYAFNH-FLOXNTQESA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -0.274 |
| Rotatable Bond Count | 8.0 |
| Logd | -1.795 |
| Compound Name | N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.137 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 260.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | 1.0239020000000008 |
| Inchi | InChI=1S/C11H20N2O5/c1-8(4-6-14)7-10(15)13(18)5-2-3-9(12)11(16)17/h7,9,14,18H,2-6,12H2,1H3,(H,16,17)/b8-7+/t9-/m0/s1 |
| Smiles | C/C(=C\C(=O)N(CCC[C@@H](C(=O)O)N)O)/CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Balfourii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients