L-Hypoglycin
PubChem CID: 441451
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| Compound Synonyms | L-Hypoglycin, Hypoglycine A, Hypoglycin A, (2S,4S)-hypoglycin A, AC1L9B77, (2S)-2-amino-3-[(1S)-2-methylidenecyclopropyl]propanoic acid, CHEBI:6248, ZINC03876009, AKOS006326677, DB-222798, C08287, Q27107125, (2S)-2-amino-3-[(1S)-2-methylenecyclopropyl]propanoic acid |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-3-[(1S)-2-methylidenecyclopropyl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.5 |
| Molecular Formula | C7H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OOJZCXFXPZGUBJ-WDSKDSINSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.644 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.393 |
| Compound Name | L-Hypoglycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 141.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 141.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0262460000000002 |
| Inchi | InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6-/m0/s1 |
| Smiles | C=C1C[C@H]1C[C@@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Blighia Sapida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all