(2S)-2-Amino-4-(methylsulfanyl)butanamide hydrochloride

C₅H₁₃ClN₂OSCAS 16120-92-6184.68 g/mol

Open in Covalent MOL file

Amide Primary amine Sulfide

Properties

Molecular formula: C₅H₁₃ClN₂OS
Molar mass: 184.68 g/mol
Exact mass: 184.0437 Da
logP: -0.03Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

16120-92-6

SMILES

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

InChIKey

PWCBMJHINDTXGV-WCCKRBBISA-N

InChI

InChI=1S/C5H12N2OS.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);1H/t4-;/m0./s1

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Names and synonyms

1 names

H-Met-nh2 hcl

Work with (2S)-2-Amino-4-(methylsulfanyl)butanamide hydrochloride

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

Similar compounds

Methionine methyl ester hydrochloride2491-18-158 % similar D-Methionine348-67-456 % similar Methionine63-68-356 % similar L-Methionine O-ethyl ester hydrochloride2899-36-755 % similar L-Methionine isopropyl ester hydrochloride85391-05-555 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-949 % similar Homocysteine thiolactone hydrochloride6038-19-347 % similar L-Methionylglycine14486-03-445 % similar

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

Elsewhere

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