[(1S)-1,3-dicarboxypropyl]azanium
PubChem CID: 5147171
Connections displayed (default: 10).
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| Compound Synonyms | 3dln, 3lmk, 2a5s, 2c6g, 2i3v, 4io2, 4o3b, 1s50, 3u93 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1S)-1,3-dicarboxypropyl]azanium |
| Prediction Hob | 1.0 |
| Xlogp | -3.7 |
| Molecular Formula | C5H10NO4+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHUUTDBJXJRKMK-VKHMYHEASA-O |
| Fcsp3 | 0.6 |
| Logs | -2.569 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.774 |
| Compound Name | [(1S)-1,3-dicarboxypropyl]azanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.061 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 148.061 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 148.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8302444 |
| Inchi | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p+1/t3-/m0/s1 |
| Smiles | C(CC(=O)O)[C@@H](C(=O)O)[NH3+] |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients