chempirical

N-(2-Chloroacetyl)-L-tyrosine

C11H12ClNO4CAS 1145-56-8257.67 g/mol

Open in Covalent MOL file
OHOOHNHOCl
Alkyl halideCarboxylic acidPhenol

Properties

Molecular formula
C11H12ClNO4
Molar mass
257.67 g/mol
Exact mass
257.0455 Da
Melting point
155 °C
logP
1.58Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1145-56-8
SMILES
O=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CCl
InChIKey
GDOGSOZOUAVIFX-VIFPVBQESA-N
InChI
InChI=1S/C11H12ClNO4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m0/s1

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

Names and synonyms

7 names
  • L-Tyrosine, N-(2-chloroacetyl)-
  • Tyrosine, N-(chloroacetyl)-, L-
  • L-Tyrosine, N-(chloroacetyl)-
  • N-(Chloroacetyl)-L-tyrosine
  • N-Chloroacetyltyrosine
  • NSC 523824
  • (2S)-2-[(2-Chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Work with N-(2-Chloroacetyl)-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-(2-Chloroacetyl)phenylalanine7765-11-978 % similar Glycyl-L-tyrosine658-79-771 % similar N-Acetyl-dl-tyrosine2901-77-163 % similar N-Acetyl-L-tyrosine537-55-363 % similar L-Alanyl-L-tyrosine3061-88-956 % similar Glycylphenylalanine3321-03-756 % similar Glycylphenylalanine721-66-456 % similar Boc-L-tyrosine3978-80-155 % similar

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

Same formula

Methyl 4-acetamido-5-chloro-2-methoxybenzoate4093-31-6

Elsewhere

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