(S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate

C14H19NO3CAS 135865-78-0249.31 g/mol

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OONHO
AldehydeCarbamate

Properties

Molecular formula
C14H19NO3
Molar mass
249.31 g/mol
Exact mass
249.1365 Da
logP
2.84Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
135865-78-0
SMILES
CC(C)(C)OC(=O)N[C@@H](CC=O)C1=CC=CC=C1
InChIKey
ZGPCDZZHEWGTEU-LBPRGKRZSA-N
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1

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Names and synonyms

1 names
  • Boc-(S)-3-Amino-3-phenylpropanal

Work with (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate

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-phenylglycinol117049-14-668 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-564 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-264 % similar Boc-D-phenylglycine33125-05-255 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-955 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-855 % similar tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate351360-61-755 % similar (S)-(+)-4-Phenyl-2-oxazolidinone86217-38-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-7 tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-9 N-Cbz-4-hydroxycyclohexane16801-62-0 Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-2 tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate72155-45-4 (R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal77119-85-8

Elsewhere

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