Methionine sulfoxide

C5H11NO3SCAS 3226-65-1165.21 g/mol

Open in Covalent MOL file
SONH2OOH
Carboxylic acidPrimary amineSulfoxide

Properties

Molecular formula
C5H11NO3S
Molar mass
165.21 g/mol
Exact mass
165.0460 Da
Melting point
232–234 °C
logP
-0.83Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 38 ECHA notifiers. Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3226-65-1
SMILES
CS(=O)CC[C@H](N)C(=O)O
InChIKey
QEFRNWWLZKMPFJ-YGVKFDHGSA-N
InChI
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • L-Methionine, S-oxide
  • Butyric acid, 2-amino-4-(methylsulfinyl)-, L-
  • Butanoic acid, 2-amino-4-(methylsulfinyl)-, (2S)-
  • L-Methionine sulfoxide
  • 3: PN: WO2011158590 PAGE: 34 claimed protein
  • (2S)-2-Amino-4-(methylsulfinyl)butanoic acid

Work with Methionine sulfoxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methionine sulfoxide62697-73-8Stereo not defined Methionine sulfoxide454-41-1Stereo not defined

Similar compounds

S-Methyl-L-cysteine sulfoxide6853-87-869 % similar Homoserine1927-25-956 % similar D-Homoserine6027-21-056 % similar Homoserine672-15-156 % similar Diaminopimelic acid583-93-755 % similar D-Norvaline2013-12-955 % similar Norvaline6600-40-455 % similar (±)-Norvaline760-78-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-2-Hydroxyethyl-L-cysteine6367-98-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook