(S)-Cbz-phenylalaninol

C17H19NO3CAS 6372-14-1285.34 g/mol

Open in Covalent MOL file
HONHOO
AlcoholCarbamate

Properties

Molecular formula
C17H19NO3
Molar mass
285.34 g/mol
Exact mass
285.1365 Da
logP
2.52Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
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
6372-14-1
SMILES
C1=CC=C(C=C1)C[C@@H](CO)NC(=O)OCC2=CC=CC=C2
InChIKey
WPOFMMJJCPZPAO-INIZCTEOSA-N
InChI
InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1

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

Names and synonyms

1 names
  • N-Carbobenzoxy-L-phenylalanilol

Work with (S)-Cbz-phenylalaninol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cbz-D-phenylalaninol58917-85-4Enantiomer

Similar compounds

N-Benzyloxycarbonyl-D-alaninol61425-27-268 % similar Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-668 % similar Fmoc-phenylalaninol129397-83-768 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-867 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-765 % similar N-Boc-DL-phenylalaninol145149-48-065 % similar N-Cbz-D-serine6081-61-465 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-065 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Rel-(4aR,8aR)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-one1668-86-6 Narwedine510-77-0 Morphine57-27-2 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one7780-20-3 2′,5′-Diethoxybenzanilide92-22-8 Piperine94-62-2

Elsewhere

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