Methylselenocysteine

C₄H₉NO₂SeCAS 26046-90-2182.09 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H331 Toxic if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, P501

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-Alpha-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

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