chempirical

N-Acetyl-L-tyrosine

C11H13NO4CAS 537-55-3223.23 g/mol

Open in Covalent MOL file
ONHOHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
151–153 °C
logP
1.36Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
537-55-3
SMILES
CC(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKey
CAHKINHBCWCHCF-JTQLQIEISA-N
InChI
InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1

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

Names and synonyms

9 names
  • L-Tyrosine, N-acetyl-
  • Tyrosine, N-acetyl-, L-
  • N-Acetyltyrosine
  • L-N-Acetyltyrosine
  • (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid
  • NSC 10853
  • (+)-(2S)-2-(Acetylamino)-3-(4-hydroxyphenyl)propanoic acid
  • Tyr-excel
  • (2S)-2-Acetamido-3-(4-hydroxyphenyl)propanoic acid

Work with N-Acetyl-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

Similar compounds

N-Acetyl-dl-tyrosine2901-77-1100 % similar (-)-N-Acetylphenylalanine10172-89-176 % similar N-Acetyl-L-phenylalanine2018-61-376 % similar N-Acetyl-dl-phenylalanine2901-75-976 % similar N-Acetyl-4-fluorophenylalanine17481-06-075 % similar N-Acetyl-L-tyrosinamide1948-71-668 % similar N-Acetyl-L-tyrosine ethyl ester840-97-167 % similar (αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-066 % similar

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

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1

Elsewhere

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