p-tert-Butylphenylalanine

C₁₃H₁₉NO₂CAS 82372-74-5221.30 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₃H₁₉NO₂
Molar mass: 221.30 g/mol
Exact mass: 221.1416 Da
logP: 1.94Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin 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

82372-74-5

SMILES

CC(C)(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChIKey

CSJZKSXYLTYFPU-NSHDSACASA-N

InChI

InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1

Weigh it out

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

Names and synonyms

1 names

L-4-tert-Butyl-phe

Work with p-tert-Butylphenylalanine

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.

D-4-tert-Butyl-phe274262-82-7Enantiomer

Similar compounds

4-(Trifluoromethyl)-D-phenylalanine114872-99-069 % similar 4-(Trifluoromethyl)-L-phenylalanine114926-38-469 % similar 4-(Trifluoromethyl)phenylalanine14091-16-869 % similar 4-Methyl-L-phenylalanine1991-87-366 % similar 4-Methyl-D-phenylalanine49759-61-766 % similar D-Tyrosine556-02-565 % similar DL-Tyrosine556-03-665 % similar Tyrosine60-18-465 % similar

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

Same formula

Ethyl 4-(diethylamino)benzoate10287-54-4 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone197145-37-2 Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one71556-70-2 Ethyl 4-(butylamino)benzoate94-32-6

Elsewhere

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