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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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.

(R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid25456-76-2Enantiomer

Similar compounds

H-Asp-otbu4125-93-372 % similar H-Glu-ome6384-08-365 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-663 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-363 % similar N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-258 % similar Boc-D-glu-otbu73872-71-658 % similar tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-557 % similar L-Asparagine tert-butyl ester25456-86-457 % 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 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 Boc-N-ethyl glycine149794-10-5 Acetyl-DL-carnitine14992-62-2 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6

Elsewhere

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