tert-Butyl (2R)-2-amino-3-phenylpropanoate hydrochloride

C₁₃H₂₀ClNO₂CAS 3403-25-6257.76 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₃H₂₀ClNO₂
Molar mass: 257.76 g/mol
Exact mass: 257.1183 Da
logP: 2.32Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

3403-25-6

SMILES

CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)N.Cl

InChIKey

FDMCEXDXULPJPG-RFVHGSKJSA-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-;/m1./s1

Weigh it out

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

Names and synonyms

1 names

H-D-Phe-otbu hcl

Work with tert-Butyl (2R)-2-amino-3-phenylpropanoate 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

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.

(S)-Phenylalanine tert-butyl ester hydrochloride15100-75-1Enantiomer

Similar compounds

H-Tyr(tbu)-otbu hcl17083-23-774 % similar 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

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

Elsewhere

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