O-tert-Butyl-L-threonine tert-butyl ester acetate

C₁₄H₂₉NO₅CAS 5854-77-3291.39 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Ether Primary amine

Properties

Molecular formula: C₁₄H₂₉NO₅
Molar mass: 291.39 g/mol
Exact mass: 291.2046 Da
Melting point: 54–57 °C
logP: 1.95Crippen estimate
Polar surface area: 98.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

5854-77-3

SMILES

CC(=O)O.C[C@@H](OC(C)(C)C)[C@H](N)C(=O)OC(C)(C)C

InChIKey

BGAUVMFJRASONL-RJUBDTSPSA-N

InChI

InChI=1S/C12H25NO3.C2H4O2/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7;1-2(3)4/h8-9H,13H2,1-7H3;1H3,(H,3,4)/t8-,9+;/m1./s1

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

Names and synonyms

4 names

L-Threonine, O-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, acetate (1:1)
Butyric acid, 2-amino-3-tert-butoxy-, tert-butyl ester, acetate, L-
L-Threonine, O-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, acetate
Butyric acid, 2-amino-3-tert-butoxy-, tert-butyl ester, acetate

Work with O-tert-Butyl-L-threonine tert-butyl ester acetate

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

O-(1,1-Dimethylethyl)-L-threonine 1,1-dimethylethyl ester5854-78-478 % similar O-(1,1-Dimethylethyl)-L-threonine4378-13-656 % similar L-Valine tert-butyl ester13211-31-953 % similar L-Alanine tert-butyl ester hydrochloride13404-22-341 % similar D-Alanine tert-butyl ester hydrochloride59531-86-141 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonine13734-40-240 % similar L-Asparagine tert-butyl ester25456-86-440 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-739 % similar

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

Elsewhere

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