chempirical

(S)-Phenylalanine tert-butyl ester hydrochloride

C13H20ClNO2CAS 15100-75-1257.76 g/mol

Open in Covalent MOL file
OOH2NHCl
EsterPrimary amine

Properties

Molecular formula
C13H20ClNO2
Molar mass
257.76 g/mol
Exact mass
257.1183 Da
Melting point
208–211 °C
logP
2.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
15100-75-1
SMILES
CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIKey
FDMCEXDXULPJPG-MERQFXBCSA-N
InChI
InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m0./s1

Weigh it out

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

Names and synonyms

9 names
  • L-Phenylalanine, 1,1-dimethylethyl ester, hydrochloride (1:1)
  • Alanine, phenyl-, tert-butyl ester, hydrochloride, L-
  • L-Phenylalanine, 1,1-dimethylethyl ester, hydrochloride
  • Phenylalanine tert-butyl ester hydrochloride
  • tert-Butyl L-phenylalaninate hydrochloride
  • L-Phenylalanine tert-butyl ester hydrochloride
  • NSC 96688
  • tert-Butyl (S)-2-amino-3-phenylpropanoate hydrochloride
  • tert-Butyl phenylalaninate hydrochloride

Work with (S)-Phenylalanine tert-butyl ester hydrochloride

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

Methyl (R)-phenylalaninate hydrochloride13033-84-668 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-868 % similar Methyl L-phenylalaninate hydrochloride7524-50-768 % similar L-Tyrosine 1,1-dimethylethyl ester16874-12-767 % similar H-Glu(obzl)-otbu hcl105590-97-465 % similar Phenylalanine ethyl ester hydrochloride3182-93-265 % similar Phenylalanine benzyl ester hydrochloride2462-32-064 % similar Phenylalanine methyl ester2577-90-461 % similar

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

Elsewhere

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