2-Hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid
PubChem CID: 25200593
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| Compound Synonyms | 2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid, CHEBI:133310 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Is Pains | False |
| Molecular Formula | C8H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEWAJTLQEJUAGF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2-Hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.053 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 186.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 186.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2640105999999999 |
| Inchi | InChI=1S/C8H10O5/c1-3-2-4(3)5(7(10)11)6(9)8(12)13/h4-6,9H,1-2H2,(H,10,11)(H,12,13) |
| Smiles | C=C1CC1C(C(C(=O)O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients