chempirical

2-(Acetylamino)-3-phenyl-2-propenoic acid

C11H11NO3CAS 5469-45-4205.21 g/mol

Open in Covalent MOL file
ONHOHO
AlkeneCarboxylic acid

Properties

Molecular formula
C11H11NO3
Molar mass
205.21 g/mol
Exact mass
205.0739 Da
Density
1.32 g/mL
Melting point
193–194 °C
logP
2.09Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
5469-45-4
SMILES
CC(O)=NC(=Cc1ccccc1)C(=O)O
InChIKey
XODAOBAZOQSFDS-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)

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

Names and synonyms

10 names
  • 2-Propenoic acid, 2-(acetylamino)-3-phenyl-
  • Cinnamic acid, α-acetamido-
  • 2-Acetamidocinnamic acid
  • α-Acetylaminocinnamic acid
  • α-Acetamidocinnamic acid
  • N-Acetyldehydrophenylalanine
  • 2-Acetylamino-3-phenylacrylic acid
  • NSC 25333
  • 2-Acetylamino-3-phenylprop-2-enoic acid
  • 2-Acetamido-3-phenylprop-2-enoic acid

Reactions

Work with 2-(Acetylamino)-3-phenyl-2-propenoic 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

α-Methylcinnamic acid1199-77-557 % similar 2-Fluoro-3-phenyl-2-propenoic acid350-90-349 % similar Alpha-phenylcinnamic acid91-48-549 % similar α-Cyanocinnamic acid1011-92-346 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-441 % similar 2-Acetamidoacrylic acid5429-56-141 % similar Acetanilide103-84-441 % similar 3-Methyl-4-phenyl-3-buten-2-one1901-26-440 % similar

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

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 Indole-3-lactic acid1821-52-9 Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-1

Elsewhere

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