chempirical

Methylselenocysteine

C4H9NO2SeCAS 26046-90-2182.09 g/mol

Open in Covalent MOL file
SeNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H9NO2Se
Molar mass
182.09 g/mol
Exact mass
182.9799 Da
logP
-0.43Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
26046-90-2
SMILES
C[Se]C[C@H](N)C(=O)O
InChIKey
XDSSPSLGNGIIHP-VKHMYHEASA-N
InChI
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Alanine, 3-(methylseleno)-
  • Alanine, 3-(methylselenyl)-, L-
  • 3-(Methylseleno)-L-alanine
  • Se-methylselenocysteine
  • Methylseleno-L-cysteine
  • Selenomethyl selenocysteine
  • (2R)-2-Azaniumyl-3-methylselanylpropanoate

Work with Methylselenocysteine

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

Selenomethionine1464-42-267 % similar Selenomethionine2578-28-167 % similar Selenocystine29621-88-367 % similar Selenomethionine3211-76-567 % similar (+)-α-Aminobutyric acid1492-24-655 % similar D-α-Aminobutyric acid2623-91-855 % similar α-Aminobutyric acid2835-81-655 % similar α-Aminobutyric acid80-60-455 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia