chempirical

5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate

C16H27NO6CAS 73821-97-3329.39 g/mol

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OOHNOOOOH
Carboxylic acidEster

Properties

Molecular formula
C16H27NO6
Molar mass
329.39 g/mol
Exact mass
329.1838 Da
logP
2.82Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
73821-97-3
SMILES
CC(C)(C)OC(O)=N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O
InChIKey
FDNMLANBNJDIRG-LBPRGKRZSA-N
InChI
InChI=1S/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1

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Names and synonyms

5 names
  • L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester
  • N-tert-Butoxycarbonyl-L-glutamic acid γ-cyclohexyl ester
  • N-tert-Butyloxycarbonyl-L-glutamic acid γ-cyclohexyl ester
  • Boc-L-glu(OcHx)-OH
  • (2S)-5-Cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Work with 5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-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

5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-675 % similar Boc-L-glutamine13726-85-763 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-663 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-063 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-063 % similar L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-862 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-262 % similar L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)21947-32-059 % similar

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

Same formula

Gabapentin enacarbil478296-72-9

Elsewhere

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