chempirical

H-Glu(obzl)-otbu hcl

C16H24ClNO4CAS 105590-97-4329.82 g/mol

Open in Covalent MOL file
OOOOH2NHCl
EsterPrimary amine

Properties

Molecular formula
C16H24ClNO4
Molar mass
329.82 g/mol
Exact mass
329.1394 Da
logP
2.60Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
105590-97-4
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)N.Cl
InChIKey
TWBZXIOAVCJDKR-ZOWNYOTGSA-N
InChI
InChI=1S/C16H23NO4.ClH/c1-16(2,3)21-15(19)13(17)9-10-14(18)20-11-12-7-5-4-6-8-12;/h4-8,13H,9-11,17H2,1-3H3;1H/t13-;/m0./s1

Weigh it out

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

Names and synonyms

1 names
  • L-Glutamic acid alpha-t-butyl-delta-benzyl ester hydrochloride

Work with H-Glu(obzl)-otbu hcl

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

Dibenzyl L-glutamate hydrochloride4561-10-877 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-366 % similar (S)-Phenylalanine tert-butyl ester hydrochloride15100-75-165 % similar γ-Benzyl L-glutamate1676-73-958 % similar 5-(Phenylmethyl) hydrogen D-glutamate2578-33-858 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-156 % similar L-Glutamic acid dibenzyl ester p-toluenesulfonate2791-84-654 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-553 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook