Boc-D-tyr-oh

C₁₄H₁₉NO₅CAS 70642-86-3281.31 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Phenol

Properties

Molecular formula: C₁₄H₁₉NO₅
Molar mass: 281.31 g/mol
Exact mass: 281.1263 Da
logP: 1.91Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook