chempirical

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester

C11H21NO4CAS 111652-20-1231.29 g/mol

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Ester

Properties

Molecular formula
C11H21NO4
Molar mass
231.29 g/mol
Exact mass
231.1471 Da
logP
2.06Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
111652-20-1
SMILES
CC(C)(C)OC(=O)CN=C(O)OC(C)(C)C
InChIKey
ZDKFMHKWZATBMR-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)

Weigh it out

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

Names and synonyms

5 names
  • Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
  • N-(tert-Butoxycarbonyl)glycine tert-butyl ester
  • (tert-Butoxycarbonylamino)acetic acid tert-butyl ester
  • tert-Butyl N-(tert-Butoxycarbonyl)glycinate
  • tert-Butyl ((tert-butoxycarbonyl)amino)acetate

Work with N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl 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

Similar compounds

N-(tert-Butoxycarbonyl)glycine4530-20-569 % similar N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-268 % similar 1,1-Dimethylethyl N-(2-amino-2-oxoethyl)carbamate35150-09-559 % similar Boc-β-alanine3303-84-256 % similar N-Boc-ethylenediamine57260-73-851 % similar N-(Diphenylmethylene)glycine tert-butyl ester81477-94-351 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-651 % similar tert-Butyl chloroacetate107-59-550 % similar

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

Same formula

Boc-D-alpha-T-butylglycine124655-17-0 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 Boc-L-beta-homovaline183990-64-9 Boc-N-methyl-L-valine45170-31-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0 Boc-D-isoleucine55721-65-8

Elsewhere

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