chempirical

α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-hydroxybenzeneacetic acid

C13H17NO5CAS 53249-34-6267.28 g/mol

Open in Covalent MOL file
OONHOOHOH
Carboxylic acidPhenol

Properties

Molecular formula
C13H17NO5
Molar mass
267.28 g/mol
Exact mass
267.1107 Da
logP
2.25Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
53249-34-6
SMILES
CC(C)(C)OC(O)=NC(C(=O)O)c1ccc(O)cc1
InChIKey
LRWJRIFKJPPAPM-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-4-6-9(15)7-5-8/h4-7,10,15H,1-3H3,(H,14,18)(H,16,17)

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-
  • N-(tert-Butoxycarbonyl)-p-hydroxyphenylglycine
  • N-(tert-Butyloxycarbonyl)-4-hydroxyphenylglycine
  • 2-(tert-Butoxycarbonylamino)-2-(4-hydroxyphenyl)acetic acid
  • 2-((tert-Butoxycarbonyl)amino)-2-(4-hydroxyphenyl)aceticacid
  • 2-[[(tert-Butoxy)carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid

Work with α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-hydroxybenzeneacetic acid

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

Similar compounds

Boc-L-tyrosine3978-80-164 % similar Boc-L-alanine15761-38-353 % similar Boc-D-alanine7764-95-653 % similar N-tert-Butoxycarbonyl-L-tert-leucine62965-35-952 % similar (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-552 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-952 % similar (βS)-4-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid261165-06-452 % similar Boc-L-valine13734-41-351 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook