chempirical

5-(1,1-Dimethylethyl) hydrogen L-glutamate

C9H17NO4CAS 2419-56-9203.24 g/mol

Open in Covalent MOL file
OONH2OOH
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
Density
0.992 g/mL (at 20 °C)
Melting point
168–169 °C
Boiling point
110 °C (at 0.05 Torr)
logP
0.52Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2419-56-9
SMILES
CC(C)(C)OC(=O)CC[C@H](N)C(=O)O
InChIKey
OIOAKXPMBIZAHL-LURJTMIESA-N
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • L-Glutamic acid, 5-(1,1-dimethylethyl) ester
  • Glutamic acid, 5-tert-butyl ester, L-
  • Glutamic acid, 5-tert-butyl ester
  • L-Glutamic acid 5-tert-butyl ester
  • Glutamic acid γ-tert-butyl ester
  • γ-tert-Butyl glutamate
  • L-Glutamic acid γ-tert-butyl ester
  • H-Glu(OtBu)-OH
  • L-Glu(O-tBu)-OH
  • γ-tert-Butyl L-glutamic acid
  • (2S)-2-Amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
  • (2S)-2-Amino-5-(tert-butoxy)-5-oxopentanoic acid
  • (2S)-2-Amino-5-tert-butoxy-5-oxopentanoic acid

Work with 5-(1,1-Dimethylethyl) hydrogen 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

4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-772 % similar 5-Methyl hydrogen L-glutamate1499-55-465 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-363 % similar Ethyl L-glutamate1119-33-162 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-961 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-660 % similar Boc-D-glu(otbu)-oh104719-63-358 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-158 % similar

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

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-1 (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-8 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-7

Elsewhere

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