|
Ligand Download |
||
 | ||
| Ligand Name: (2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium | ||
| HET ID: DCK | PubChem: 160907 | |
| DrugBank: - | ChEMBL: CHEMBL1738789 | |
| Canonical SMILES: O[C@H](C[N+](C)(C)C)CC(=O)O | ||
| Standard InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1 | ||
| Molecular Formula: C7H16NO3+ | Mol. Weight: 162.20683 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: True | logP: -0.4718 |
| HBD: 2 | HBA: 3 | TPSA: 57.53 |
| #Bonds: 11 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.14285715 | ||