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

C₁₄H₁₉NO₃CAS 135865-78-0249.31 g/mol

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Aldehyde Carbamate

Properties

Molecular formula: C₁₄H₁₉NO₃
Molar mass: 249.31 g/mol
Exact mass: 249.1365 Da
logP: 2.84Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

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 tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-750 % similar Boc-L-homophenylalanine100564-78-147 % similar (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-446 % similar (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-446 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-645 % similar Boc-D-4,4'-biphenylalanine128779-47-545 % similar

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

Same formula

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-7 Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-2

Elsewhere

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