Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride

C₁₄H₂₂ClNO₃CAS 51482-39-4287.78 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₄H₂₂ClNO₃
Molar mass: 287.78 g/mol
Exact mass: 287.1288 Da
logP: 2.33Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Danger

H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.5% of notifiers

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

Precautionary statements

P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P337+P317, P342+P316, P403, P501

Identifiers

CAS number

51482-39-4

SMILES

COC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1.Cl

InChIKey

PAFVAMWJVIIMQK-YDALLXLXSA-N

InChI

InChI=1S/C14H21NO3.ClH/c1-14(2,3)18-11-7-5-10(6-8-11)9-12(15)13(16)17-4;/h5-8,12H,9,15H2,1-4H3;1H/t12-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

L-Tyrosine, O-(1,1-dimethylethyl)-, methyl ester, hydrochloride (1:1)
L-Tyrosine, O-(1,1-dimethylethyl)-, methyl ester, hydrochloride
Methyl O-tert-butyl-L-tyrosinate hydrochloride

Work with Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate 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

H-Tyr(tbu)-otbu hcl17083-23-780 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-666 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-866 % similar Methyl L-phenylalaninate hydrochloride7524-50-766 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-165 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-865 % similar Methyl L-tyrosinate hydrochloride3417-91-265 % similar Methyl D-tyrosinate hydrochloride3728-20-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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