GLYCINE t-BUTYL ESTER

C₆H₁₃NO₂CAS 6456-74-2131.17 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₁₃NO₂
Molar mass: 131.17 g/mol
Exact mass: 131.0946 Da
logP: 0.29Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6456-74-2

SMILES

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

InChIKey

SJMDMGHPMLKLHQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Glycine tert-butyl ester
tert-Butyl glycinate

Work with GLYCINE t-BUTYL ESTER

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 tert-butyl ester hydrochloride27532-96-3Salt

Similar compounds

1,3-Bis(1,1-dimethylethyl) propanedioate541-16-263 % similar tert-Butyl propionate20487-40-558 % similar H-Beta-ala-otbu hcl58620-93-257 % similar tert-Butyl chloroacetate107-59-556 % similar tert-Butyl 2-hydroxyacetate50595-15-856 % similar tert-Butyl bromoacetate5292-43-356 % similar Di-tert-butyl iminodiacetate85916-13-856 % similar Amino-peg1-T-butyl ester1260092-46-353 % similar

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

Same formula

Dimethylaminoethyl acetate1421-89-2 L-Alloisoleucine1509-34-8 D-Alloisoleucine1509-35-9 tert-Butyl methylcarbamate16066-84-5 L-tert-Leucine20859-02-3 N-Methyl-L-valine2480-23-1 D-tert-Leucine26782-71-8 D-Isoleucine319-78-8

Elsewhere

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