chempirical

N-Acetylmethionine

C7H13NO3SCAS 1115-47-5191.24 g/mol

Open in Covalent MOL file
SNHOOOH
Carboxylic acidSulfide

Properties

Molecular formula
C7H13NO3S
Molar mass
191.24 g/mol
Exact mass
191.0616 Da
Melting point
111–113 °C
logP
1.17Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
1115-47-5
SMILES
CSCCC(N=C(C)O)C(=O)O
InChIKey
XUYPXLNMDZIRQH-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

10 names
  • Methionine, N-acetyl-
  • Methionine, N-acetyl-, DL-
  • DL-Methionine, N-acetyl-
  • N-Acetyl-DL-methionine
  • Acetyl-DL-methionine
  • DL-N-acetylmethionine
  • NSC 7633
  • 2-Acetylamino-4-methylsulfanyl-butyric acid
  • 2-Acetamido-4-(methylsulfanyl)butanoic acid
  • 2-Acetamido-4-methylsulfanylbutanoic acid

Work with N-Acetylmethionine

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.

N-Acetyl-L-methionine65-82-7Defined stereoisomer N-Acetyl-D-methionine1509-92-8Defined stereoisomer

Similar compounds

N,N′-Diacetyl-L-cystine5545-17-561 % similar N-Acetyl-L-glutamic acid1188-37-061 % similar N-Acetylglutamic acid5817-08-361 % similar 2-(Acetylamino)butanoic acid7211-57-660 % similar DL-Alanyl-DL-methionine1999-43-560 % similar N-Formylmethionine4289-98-959 % similar N-Formylmethionine4309-82-459 % similar N-Acetyl-DL-serine97-14-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook