Glycine tert-butyl ester hydrochloride

C₆H₁₄ClNO₂CAS 27532-96-3167.63 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₁₄ClNO₂
Molar mass: 167.63 g/mol
Exact mass: 167.0713 Da
Melting point: 140–141 °C
logP: 0.71Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation61.5% of notifiers
H319 Causes serious eye irritation61.5% of notifiers
H335 May cause respiratory irritation46.2% of notifiers

Aggregated from 13 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

27532-96-3

SMILES

CC(C)(C)OC(=O)CN.Cl

InChIKey

OSWULUXZFOQIRU-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H

Weigh it out

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

Names and synonyms

10 names

Glycine, 1,1-dimethylethyl ester, hydrochloride (1:1)
Glycine, 1,1-dimethylethyl ester, hydrochloride
Glycine, tert-butyl ester, hydrochloride
tert-Butylglycinate hydrochloride
2-Aminoacetic acid tert-butyl ester hydrochloride
1,1-Dimethylethyl glycinate hydrochloride
Glycine tert-butyl ester monohydrochloride
tert-Butyl 2-aminoacetate hydrochloride
tert-Butyl glycine hydrochloride
2-(tert-Butoxy)-2-oxoethan-1-aminium chloride

Work with Glycine tert-butyl ester 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

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.

GLYCINE t-BUTYL ESTER6456-74-2Free base

Similar compounds

H-Beta-ala-otbu hcl58620-93-267 % similar H-Gamma-abu-otbu hcl58640-01-063 % similar Sarcosine t-butyl ester hydrochloride5616-81-956 % similar 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-256 % similar tert-Butyl chloroacetate107-59-555 % similar Glycine methyl ester hydrochloride5680-79-555 % similar H-Asp(otbu)-otbu hcl1791-13-553 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-953 % similar

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

Same formula

Ethyl α-aminoisobutyrate hydrochloride17288-15-2 Methyl D-valinate hydrochloride21685-47-2 Methyl 5-aminopentanoate hydrochloride29840-56-0 L-Alanine isopropyl ester hydrochloride39825-33-7 Methyl DL-valinate hydrochloride5619-05-6 L-Alanine isopropyl ester hydrochloride62062-65-1 Methyl L-valinate hydrochloride6306-52-1 4-Aminobutyric acid ethyl ester hydrochloride6937-16-2

Elsewhere

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