Showing Metabocard for L-methionine sulfoximine (BASm0007705)
| Common Name | L-methionine sulfoximine |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C5H12N2O3S |
| Average Mass | 180.22000 |
| Monoisotopic Mass | 180.05686 |
| IUPAC Name | 2-amino-4-[imino(methyl)oxo-λ⁶-sulfanyl]butanoic acid |
| Traditional Name | Methionine sulfoximine |
| CAS Registry Number | Not Available |
| SMILES | CS(=N)(=O)CC[C@H]([NH3+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1 |
| InChI Key | SXTAYKAGBXMACB-DPVSGNNYSA-N |
| CHEBI ID | CHEBI:87826 |
| MiMeDB ID | MMDBc0057120 |
| State | Not Available |
| Water Solubility | 7.39e+00 g/l |
| logP | -2.97 |
| logS | -1.39 |
| pKa (Strongest Acidic) | 1.89 |
| pKa (Strongest Basic) | 9.09 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 104.24 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 40.22 m³·mol⁻¹ |
| Polarizability | 17.31 |