chempirical

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

C9H17NO4CAS 45120-30-7203.24 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
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
45120-30-7
SMILES
CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O
InChIKey
QVAQMUAKTNUNLN-LURJTMIESA-N
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-/m0/s1

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

Names and synonyms

6 names
  • L-Glutamic acid, 1-(1,1-dimethylethyl) ester
  • α-tert-Butyl L-glutamate
  • L-Glutamic acid α-tert-butyl ester
  • L-Glutamic acid tert-butyl ester
  • (S)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid
  • (4S)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid

Work with 1-(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

L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-363 % similar N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-258 % similar L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-557 % similar L-Asparagine tert-butyl ester25456-86-457 % similar D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)201007-86-552 % similar Poly(L-glutamic acid)25513-46-651 % similar Glutamic acid56-86-051 % similar Glutamic acid617-65-251 % 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 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-9 N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-1 (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-8

Elsewhere

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