Methyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate hydrochloride

C₉H₂₀ClNO₃CAS 71989-43-0225.71 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₉H₂₀ClNO₃
Molar mass: 225.71 g/mol
Exact mass: 225.1132 Da
logP: 1.11Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71989-43-0

SMILES

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

InChIKey

SDHKEUUZUMQSAD-HHQFNNIRSA-N

InChI

InChI=1S/C9H19NO3.ClH/c1-6(13-9(2,3)4)7(10)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t6-,7+;/m1./s1

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Names and synonyms

1 names

H-Thr(tbu)-ome hcl

Work with Methyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate 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

O-(1,1-Dimethylethyl)-L-threonine 1,1-dimethylethyl ester5854-78-467 % similar Methyl D-valinate hydrochloride21685-47-258 % similar Methyl DL-valinate hydrochloride5619-05-658 % similar Methyl L-valinate hydrochloride6306-52-158 % similar Methyl D-valinate hydrochloride7146-15-858 % similar O-tert-Butyl-L-threonine tert-butyl ester acetate5854-77-355 % similar Methyl L-threoninate hydrochloride39994-75-754 % similar (2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid4378-13-654 % similar

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

Elsewhere

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