tert-Butoxycarbonyl-L-methionine

C₁₀H₁₉NO₄SCAS 93000-03-4249.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₁₀H₁₉NO₄S
Molar mass: 249.32 g/mol
Exact mass: 249.1035 Da
logP: 1.72Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation20% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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

93000-03-4

SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)O

InChIKey

IMUSLIHRIYOHEV-UHFFFAOYSA-N

InChI

InChI=1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)

Weigh it out

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

Names and synonyms

1 names

Boc-dl-met-oh

Work with tert-Butoxycarbonyl-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.

Boc-L-methionine2488-15-5Defined stereoisomer N-(tert-Butyloxycarbonyl)-D-methionine5241-66-7Defined stereoisomer

Similar compounds

(2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-571 % similar Boc-D-nva-oh57521-85-471 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-667 % similar Boc-D-2,4-diaminobutyric acid80445-78-967 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-767 % similar Boc-D-glu(otbu)-oh104719-63-366 % similar Boc-L-glutamic acid2419-94-566 % similar Boc-D-glu-oh34404-28-966 % similar

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

Same formula

Amantadine sulfate31377-23-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook