(2R)-2-Azaniumyl-4-Methylsulfanylbutanoate
Representations & DB's id
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| ChEBI: | CHEBI:16867 | |
|---|---|---|
| ChEMBL: | CHEMBL1234268 | |
| PubChem: | 6992109 | |
| IUPAC: | (2R)-2-azaniumyl-4-methylsulfanylbutanoate | |
| Standard InChI: | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1 | |
| Standard InChI Key: | FFEARJCKVFRZRR-SCSAIBSYSA-N | |
| SMILES: | CSCC[C@H](C(=O)O)N | |
Molecular propeties
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| AlogP: | 0.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 149.05 | |
| Topological polar surface area: | 93.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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