chempirical

N-Acetyl-L-tyrosinamide

C11H14N2O3CAS 1948-71-6222.24 g/mol

Open in Covalent MOL file
ONHOHH2NO
Phenol

Properties

Molecular formula
C11H14N2O3
Molar mass
222.24 g/mol
Exact mass
222.1004 Da
Density
1.19 g/mL
Melting point
224 °C
logP
1.81Crippen estimate
Polar surface area
96.9 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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
1948-71-6
SMILES
CC(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O
InChIKey
RJNKBEQRBIJDNM-JTQLQIEISA-N
InChI
InChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Benzenepropanamide, α-(acetylamino)-4-hydroxy-, (αS)-
  • Hydrocinnamamide, α-acetamido-p-hydroxy-, L-
  • Benzenepropanamide, α-(acetylamino)-4-hydroxy-, (S)-
  • (αS)-α-(Acetylamino)-4-hydroxybenzenepropanamide
  • N-Acetyl-L-tyrosine amide
  • N-Acetyl-4-hydroxy-L-phenylalaninamide
  • NAYA
  • (2S)-2-Acetamido-3-(4-hydroxyphenyl)propanamide

Work with N-Acetyl-L-tyrosinamide

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

N-Acetyl-DL-tyrosine2901-77-168 % similar N-Acetyl-L-tyrosine537-55-368 % similar N-Acetyl-L-tyrosine ethyl ester840-97-158 % similar N-Acetylcysteine amide38520-57-951 % similar (-)-N-Acetylphenylalanine10172-89-151 % similar N-Acetyl-L-phenylalanine2018-61-351 % similar N-Acetyl-DL-phenylalanine2901-75-951 % similar N-Acetyl-4-fluorophenylalanine17481-06-051 % similar

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

Same formula

1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-0 tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-7 Glycylphenylalanine3321-03-7 Glycylphenylalanine721-66-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook