chempirical

Boc-glu-nh2

C10H18N2O5CAS 18800-74-3246.26 g/mol

Open in Covalent MOL file
OONHOOHOH2N
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C10H18N2O5
Molar mass
246.26 g/mol
Exact mass
246.1216 Da
logP
0.23Crippen estimate
Polar surface area
118.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18800-74-3
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)N
InChIKey
GMZBDBBBJXGPIH-LURJTMIESA-N
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(11)15)4-5-7(13)14/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1

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Work with Boc-glu-nh2

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

Boc-L-glutamic acid2419-94-572 % similar Boc-D-glu-oh34404-28-972 % similar Boc-D-glu-otbu73872-71-672 % similar (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-767 % similar Boc-D-aspartic acid62396-48-958 % similar Boc-asp-otbu34582-32-657 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-257 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-356 % similar

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

Same formula

Boc-L-glutamine13726-85-7 Boc-D-glutamine61348-28-5

Elsewhere

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