(2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-6-methylhept-5-enoic acid
PubChem CID: 71746248
Connections displayed (default: 10).
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| Topological Polar Surface Area | 87.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-6-methylhept-5-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C11H19N3O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WVCALCYXKSQZFA-BDAKNGLRSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -2.173 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.169 |
| Compound Name | (2R)-2-[(5R)-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 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 225.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6313103999999994 |
| 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)/t8-,9+/m1/s1 |
| Smiles | CC(=CCC[C@H]([C@@H]1CN=C(N1)N)C(=O)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Plantago Depressa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Plumbago Zeylanica (Plant) Rel Props:Source_db:npass_chem_all