chempirical

O-Benzyl-L-tyrosine

C16H17NO3CAS 16652-64-5271.32 g/mol

Open in Covalent MOL file
H2NOOHO
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C16H17NO3
Molar mass
271.32 g/mol
Exact mass
271.1208 Da
Melting point
223 °C
logP
2.22Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
16652-64-5
SMILES
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey
KAFHLONDOVSENM-HNNXBMFYSA-N
InChI
InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Tyrosine, O-(phenylmethyl)-
  • Alanine, 3-[p-(benzyloxy)phenyl]-, L-
  • O-(Phenylmethyl)-L-tyrosine
  • O-Benzyltyrosine
  • Tyrosine benzyl ether
  • NSC 163630
  • (S)-2-Amino-3-[4-(benzyloxy)phenyl]propanoic acid
  • (2S)-2-Amino-3-[4-(benzyloxy)phenyl]propanoic acid
  • (2S)-2-Amino-3-(4-phenylmethoxyphenyl)propanoic acid

Work with O-Benzyl-L-tyrosine

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

Phenylalanine63-91-273 % similar D-Phenylalanine673-06-373 % similar 5-(Phenylmethoxy)tryptophan6383-70-663 % similar O-Methyl-D-tyrosine39878-65-463 % similar O-Methyl-L-tyrosine6230-11-163 % similar Dl-thyronine1034-10-261 % similar L-4-Benzoylphenylalanine104504-45-261 % similar Thyronine1596-67-461 % similar

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

Same formula

Higenamine5843-65-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook