chempirical

1-(tert-Butoxycarbonyl)-L-tryptophan

C16H20N2O4CAS 146645-63-8304.35 g/mol

Open in Covalent MOL file
OONNH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C16H20N2O4
Molar mass
304.35 g/mol
Exact mass
304.1423 Da
logP
2.38Crippen estimate
Polar surface area
94.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
146645-63-8
SMILES
CC(C)(C)OC(=O)n1cc(C[C@H](N)C(=O)O)c2ccccc21
InChIKey
DYWUPCCKOVTCFZ-LBPRGKRZSA-N
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-9-10(8-12(17)14(19)20)11-6-4-5-7-13(11)18/h4-7,9,12H,8,17H2,1-3H3,(H,19,20)/t12-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • 1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan
  • L-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-
  • 1-Boc-L-tryptophan

Work with 1-(tert-Butoxycarbonyl)-L-tryptophan

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-trp(boc)-oh144599-95-169 % similar 1-Methyl-D-tryptophan110117-83-461 % similar 1-Methyl-L-tryptophan21339-55-961 % similar 1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan163619-04-359 % similar Fmoc-L-trp(boc)-OH143824-78-659 % similar Fmoc-metrp(boc)-oh197632-75-057 % similar L-Tryptophan, N-((1,1-dimethylethoxy)carbonyl)-1-formyl-47355-10-249 % similar Dl-3-(1-naphthyl)alanine28095-56-948 % similar

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

Same formula

N-tert-Butoxycarbonyl-L-tryptophan13139-14-5 (βR)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-80-9 (βR)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-83-2 (βR)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-86-5 (βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-83-3 (βS)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-86-6 (βS)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-89-9 tert-Butoxycarbonyl-D-tryptophan5241-64-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook