chempirical

1,5-Dimethyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate

C12H21NO6CAS 59279-60-6275.30 g/mol

Open in Covalent MOL file
OONHOOOO
Ester

Properties

Molecular formula
C12H21NO6
Molar mass
275.30 g/mol
Exact mass
275.1369 Da
logP
1.21Crippen estimate
Polar surface area
94.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
59279-60-6
SMILES
COC(=O)CC[C@H](N=C(O)OC(C)(C)C)C(=O)OC
InChIKey
QNSPKWUAZQIIGZ-QMMMGPOBSA-N
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1,5-dimethyl ester
  • L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl ester
  • Dimethyl N-tert-butoxycarbonyl-L-glutamate
  • Boc-glu(OMe)-OMe
  • Methyl (2S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoate
  • N-tert-Butoxycarbonyl-L-glutamic acid dimethyl ester
  • Dimethyl (2S)-2-(tert-butoxycarbonylamino)pentanedioate
  • Dimethyl (S)-(N-tert-butoxycarbonyl)glutamate
  • (S)-Dimethyl 2-((tert-butoxycarbonyl)amino)pentanedioate

Work with 1,5-Dimethyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate

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

5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-664 % similar N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-263 % similar 5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate73821-97-356 % similar Boc-L-glutamine13726-85-754 % similar Methyl pyroglutamate4931-66-252 % similar Methyl 5-oxopyrrolidine-2-carboxylate54571-66-352 % similar 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-752 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-252 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook