chempirical

Boc-L-alaninal

C8H15NO3CAS 79069-50-4173.21 g/mol

Open in Covalent MOL file
ONHOO
AldehydeCarbamate

Properties

Molecular formula
C8H15NO3
Molar mass
173.21 g/mol
Exact mass
173.1052 Da
logP
1.10Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
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
79069-50-4
SMILES
C[C@@H](C=O)NC(=O)OC(C)(C)C
InChIKey
OEQRZPWMXXJEKU-LURJTMIESA-N
InChI
InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1

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Names and synonyms

1 names
  • tert-Butyl N-((2S)-1-oxopropan-2-yl)carbamate

Work with Boc-L-alaninal

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-leucinal58521-45-261 % similar rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-658 % similar N-1-Boc-amino-3-cyclopentene193751-54-153 % similar tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate146552-71-851 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-050 % similar Boc-dl-alanine3744-87-450 % similar tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate72155-45-450 % similar (R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal77119-85-850 % similar

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

Same formula

N-Acetyl-L-leucine1188-21-2 N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-D-leucine19764-30-8 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7

Elsewhere

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