chempirical

Boc-leucinal

C11H21NO3CAS 58521-45-2215.29 g/mol

Open in Covalent MOL file
ONHOO
AldehydeCarbamate

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
2.12Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
58521-45-2
SMILES
CC(C)C[C@@H](C=O)NC(=O)OC(C)(C)C
InChIKey
RQSBRFZHUKLKNO-VIFPVBQESA-N
InChI
InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • tert-Butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate
  • (S)-tert-Butyl (4-methyl-1-oxopentan-2-yl)carbamate
  • N-Boc-2(S)-2-amino-4-methyl-pentanal
  • Boc-leu-H
  • Boc--L--leucinal
  • t-Boc-leu-H
  • N--BOC--L--leucinal
  • t-Butoxycarbonyl-L-leucinal
  • tert-Butyl (1S)-1-formyl-3-methylbutylcarbamate
  • tert-Butyloxycarbonyl-leucinal
  • N-t-Butoxycarbonyl-L-leucinal
  • (t-Butyloxycarbonyl)-L-leucinal
  • N-tert-Butoxycarbonyl-L-leucinal
  • N-(t-Butoxycarbonyl)-L-leucinal
  • N-(tert-Butyloxycarbonyl)leucinal
  • N-(tert-Butyloxycarbonyl) leucinal

Work with Boc-leucinal

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-D-leucinol106930-51-257 % similar Boc-L-beta-homoleucine132549-43-053 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-051 % similar exo-3-Boc-aminotropane132234-68-548 % similar Boc-D-valinol106391-87-145 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-645 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-943 % similar Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate1211877-36-943 % similar

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

Same formula

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-3 Boc-trans-4-aminocyclohexanol111300-06-2 N-Boc-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7 tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-8 N-Boc-piperidine-2-methanol157634-00-9

Elsewhere

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