Boc-O-methyl-L-tyrosine

C15H21NO5CAS 53267-93-9295.34 g/mol

Open in Covalent MOL file
OONHOOHO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C15H21NO5
Molar mass
295.34 g/mol
Exact mass
295.1420 Da
logP
2.22Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
53267-93-9
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)O
InChIKey
SLWWWZWJISHVOU-LBPRGKRZSA-N
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)9-10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1

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Work with Boc-O-methyl-L-tyrosine

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-D-tyr(me)-oh68856-96-2Enantiomer

Similar compounds

(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-881 % similar Boc-D-tyr-oh70642-86-377 % similar Boc-dl-phe-oh4530-18-174 % similar Boc-4-iodo-D-phenylalanine176199-35-273 % similar Boc-L-4-fluorophe41153-30-473 % similar Boc-4-amino-L-phenylalanine55533-24-973 % similar (S)-N-Boc-4-bromophenylalanine62129-39-973 % similar Boc-L-4-chlorophe68090-88-073 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate124605-42-1 Boc-D-ser-obzl141527-78-8 O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-1 Boc-homo-L-tyrosine198473-94-8 N-tert-Butoxycarbonyl-O-benzylserine23680-31-1 3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid284493-53-4 Boc-tyr-OMe4326-36-7 (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-8

Elsewhere

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