chempirical

Boc-D-tyr-oh

C14H19NO5CAS 70642-86-3281.31 g/mol

Open in Covalent MOL file
OONHOHOHO
CarbamateCarboxylic acidPhenol

Properties

Molecular formula
C14H19NO5
Molar mass
281.31 g/mol
Exact mass
281.1263 Da
logP
1.91Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Rin 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
70642-86-3
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O
InChIKey
CNBUSIJNWNXLQQ-LLVKDONJSA-N
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1

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Names and synonyms

1 names
  • (2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid

Work with Boc-D-tyr-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.

Boc-L-tyrosine3978-80-1Enantiomer

Similar compounds

(S)-N-Boc-4-bromophenylalanine62129-39-982 % similar Boc-homo-L-tyrosine198473-94-880 % similar Boc-dl-phe-oh4530-18-180 % similar Boc-4-iodo-D-phenylalanine176199-35-278 % similar Boc-L-4-fluorophe41153-30-478 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-878 % similar Boc-4-amino-L-phenylalanine55533-24-978 % similar Boc-L-4-chlorophe68090-88-078 % similar

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

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-6 (2R,3S)-Boc-3-phenylisoserine145514-62-1

Elsewhere

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