(2S)-4-methylsulfanyl-2-(propanoylamino)butanoic acid


Chemical Name: (2S)-4-methylsulfanyl-2-(propanoylamino)butanoic acid
CAS Number: 52811-70-8
Product Number: AG00E2RT(AGN-PC-03624Z)
Synonyms:
MDL No: MFCD09042731
Molecular Formula: C8H15NO3S
Molecular Weight: 205.2746

Identification/Properties


Computed Properties
Molecular Weight:
205.272g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
205.077g/mol
Monoisotopic Mass:
205.077g/mol
Topological Polar Surface Area:
91.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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