Boc-D-tryptophanol

C₁₆H₂₂N₂O₃CAS 158932-00-4290.36 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₆H₂₂N₂O₃
Molar mass: 290.36 g/mol
Exact mass: 290.1630 Da
logP: 2.60Crippen estimate
Polar surface area: 74.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: Rin 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

158932-00-4

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)CO

InChIKey

JEFQUFUAEKORKL-GFCCVEGCSA-N

InChI

InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14/h4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20)/t12-/m1/s1

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Work with Boc-D-tryptophanol

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-beta-homotryptophan229639-48-976 % similar Boc-trp-ome33900-28-666 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-765 % similar N-Boc-DL-phenylalaninol145149-48-065 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-065 % similar Lcz696 intemediate1426129-50-159 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-155 % similar N-tert-Butoxycarbonyl-L-tryptophan13139-14-553 % similar

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

Same formula

1,1-Dimethylethyl ((3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate109010-60-8 Procaterol72332-33-3

Elsewhere

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