2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)-6-methylhept-5-enoic acid
PubChem CID: 53328941
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| Compound Synonyms | CHEMBL4444825, BDBM50528367, 2-(2-amino-4,5-dihydro-1h-imidazol-4-yl)-6-methylhept-5-enoic acid |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 87.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | WVCALCYXKSQZFA-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | 2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)-6-methylhept-5-enoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 225.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.148 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 225.29 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)-6-methylhept-5-enoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.2659103999999999 |
| Inchi | InChI=1S/C11H19N3O2/c1-7(2)4-3-5-8(10(15)16)9-6-13-11(12)14-9/h4,8-9H,3,5-6H2,1-2H3,(H,15,16)(H3,12,13,14) |
| Smiles | CC(=CCCC(C1CN=C(N1)N)C(=O)O)C |
| Xlogp | 0.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H19N3O2 |
- 1. Outgoing r'ship
FOUND_INto/from Plantago Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients