N-Acetyl-L-methionine

C₇H₁₃NO₃SCAS 65-82-7191.24 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfide

Properties

Molecular formula: C₇H₁₃NO₃S
Molar mass: 191.24 g/mol
Exact mass: 191.0616 Da
Melting point: 105.5 °C
Boiling point: 235 °C (at 12 Torr)
logP: 1.17Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation28.6% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65-82-7

SMILES

CSCC[C@H](N=C(C)O)C(=O)O

InChIKey

XUYPXLNMDZIRQH-LURJTMIESA-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)/t6-/m0/s1

Weigh it out

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

Names and synonyms

12 names

L-Methionine, N-acetyl-
Methionine, N-acetyl-, L-
Acetylmethionine
Methionamine
N-Acetylmethionine
L-(N-Acetyl)methionine
Acetyl-L-methionine
Methionin
Thiomedon
(2S)-2-Acetamido-4-methylsulfanylbutanoic acid
(2S)-2-Acetamido-4-(methylsulfanyl)butanoic acid
(S)-2-Acetamido-4-(methylthio)butanoic acid

Work with N-Acetyl-L-methionine

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-D-methionine1509-92-8Enantiomer N-Acetylmethionine1115-47-5Stereo not defined

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