chempirical

(R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid

C9H17NO4CAS 25456-76-2203.24 g/mol

Open in Covalent MOL file
OOOOHNH2
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
Rin SMILES atom order

Identifiers

CAS number
25456-76-2
SMILES
CC(C)(C)OC(=O)[C@@H](CCC(=O)O)N
InChIKey
QVAQMUAKTNUNLN-ZCFIWIBFSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • D-Glutamic acid 1-tert-butyl ester

Work with (R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid

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.

1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-7Enantiomer

Similar compounds

(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 L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-557 % similar L-Asparagine tert-butyl ester25456-86-457 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-952 % 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

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 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook