Boc-tyr-OMe

C15H21NO5CAS 4326-36-7295.34 g/mol

Open in Covalent MOL file
OONHOHOO
CarbamateEsterPhenol

Properties

Molecular formula
C15H21NO5
Molar mass
295.34 g/mol
Exact mass
295.1420 Da
logP
2.00Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4326-36-7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC
InChIKey
NQIFXJSLCUJHBB-LBPRGKRZSA-N
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1

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Names and synonyms

1 names
  • Boc-L-tyrosine methyl ester

Work with Boc-tyr-OMe

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-ome76757-90-9Enantiomer

Similar compounds

Boc-phe-ome51987-73-677 % similar Boc-D-tyr-oh70642-86-373 % similar Boc-tyr-obzl19391-35-672 % similar Boc-L-serine methyl ester2766-43-060 % similar Boc-D-ser-ome95715-85-860 % similar (S)-N-Boc-4-bromophenylalanine62129-39-960 % similar Boc-D-tyr(me)-oh68856-96-259 % similar Boc-trp-ome33900-28-659 % 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 (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-8 Boc-O-methyl-L-tyrosine53267-93-9

Elsewhere

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