2-Azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate
PubChem CID: 25243900
Connections displayed (default: 10).
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| Topological Polar Surface Area | 143.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate |
| Prediction Hob | 1.0 |
| Xlogp | -3.4 |
| Molecular Formula | C5H13N4O3+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | FSBIGDSBMBYOPN-UHFFFAOYSA-O |
| Fcsp3 | 0.6 |
| Logs | -1.171 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.638 |
| Compound Name | 2-Azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.099 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 177.099 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.0593592000000003 |
| Inchi | InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1 |
| Smiles | C(CO[NH+]=C(N)N)C(C(=O)[O-])[NH3+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Astragalus Sinicus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Source_db:cmaup_ingredients