chempirical

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. Search the SDS library

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

Weigh it out

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

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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