Methionine sulfoxide

C₅H₁₁NO₃SCAS 62697-73-8165.21 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfoxide

Properties

Molecular formula: C₅H₁₁NO₃S
Molar mass: 165.21 g/mol
Exact mass: 165.0460 Da
Melting point: 220–230 °C
logP: -0.83Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

62697-73-8

SMILES

CS(=O)CCC(N)C(=O)O

InChIKey

QEFRNWWLZKMPFJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

9 names

Methionine sulfoxide, DL-
Methionine, S-oxide
Butanoic acid, 2-amino-4-(methylsulfinyl)-, (±)-
Butanoic acid, 2-amino-4-(methylsulfinyl)-
Butyric acid, α-amino-γ-(methylsulfinyl)-
DL-Methionine sulfoxide
NSC 3084
2-Amino-4-methanesulfinylbutanoic acid
2-Azaniumyl-4-methylsulfinylbutanoate

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 sulfoxide3226-65-1Defined stereoisomer Methionine sulfoxide454-41-1

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 Wikipedia