H-D-Tyr(tbu)-oh

C₁₃H₁₉NO₃CAS 186698-58-8237.30 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₃H₁₉NO₃
Molar mass: 237.30 g/mol
Exact mass: 237.1365 Da
logP: 1.82Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

186698-58-8

SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@H](C(=O)O)N

InChIKey

SNZIFNXFAFKRKT-LLVKDONJSA-N

InChI

InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1

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

Names and synonyms

1 names

O-tert-Butyl-D-tyrosine

Work with H-D-Tyr(tbu)-oh

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.

O-tert-Butyl-L-tyrosine18822-59-8Enantiomer

Similar compounds

O-Methyl-D-tyrosine39878-65-468 % similar O-Methyl-L-tyrosine6230-11-168 % similar D-4-tert-Butyl-phe274262-82-764 % similar H-Tyr(tbu)-otbu hcl17083-23-763 % similar DL-Thyronine1034-10-263 % similar Thyronine1596-67-463 % similar Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-462 % similar 4-Methyl-L-phenylalanine1991-87-361 % similar

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

Same formula

1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-7 Boc-L-phenylglycinol117049-14-6 L-Tyrosine 1,1-dimethylethyl ester16874-12-7

Elsewhere

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