[(1S)-5-amino-1-carboxypentyl]azanium
PubChem CID: 24848423
Connections displayed (default: 10).
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| Topological Polar Surface Area | 91.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1S)-5-amino-1-carboxypentyl]azanium |
| Prediction Hob | 1.0 |
| Xlogp | -3.0 |
| Molecular Formula | C6H15N2O2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | KDXKERNSBIXSRK-YFKPBYRVSA-O |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.519 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.5 |
| Compound Name | [(1S)-5-amino-1-carboxypentyl]azanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.113 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 147.113 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 147.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4988724000000002 |
| Inchi | InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1 |
| Smiles | C(CCN)C[C@@H](C(=O)O)[NH3+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients