Isoleucine
Representations & DB's id
| ||
| ChEBI: | CHEBI:17191 | |
|---|---|---|
| ChEMBL: | CHEMBL1233584 | |
| PubChem: | 6306 | |
| IUPAC: | (2S,3S)-2-amino-3-methylpentanoic acid | |
| Standard InChI: | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 | |
| Standard InChI Key: | AGPKZVBTJJNPAG-WHFBIAKZSA-N | |
| SMILES: | CC[C@@H]([C@@H](C(=O)O)N)C | |
Molecular propeties
| ||
| AlogP: | 0.44 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 131.09 | |
| Topological polar surface area: | 63.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |