chempirical

Dl-β-phenylalanine

C9H11NO2CAS 614-19-7165.19 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
222 °C (decomposes)
logP
1.16Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
614-19-7
SMILES
NC(CC(=O)O)c1ccccc1
InChIKey
UJOYFRCOTPUKAK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)

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Names and synonyms

18 names · show all
  • DL-3-Amino-3-phenylpropionic acid
  • (±)-3-Amino-3-phenylpropionic acid
  • (±)-3-Amino-3-phenylpropanoic acid
  • NSC 122793
  • NSC 132827
  • NSC 1979
  • NSC 32026
  • 3-Amino-3-phenylpropionic acid
  • Benzenepropanoic acid, β-amino-
  • Hydrocinnamic acid, β-amino-
  • β-Aminobenzenepropanoic acid
  • β-Alanine, 3-phenyl-
  • β-Phenyl-β-alanine
  • Phenyl-β-alanine
  • 3-Phenyl-β-alanine
  • 3-Amino-3-phenylpropanoic acid
  • DL-β-Phenyl-β-alanine
  • (±)-β-Phenyl-β-alanine

Reactions

Work with Dl-β-phenylalanine

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

(-)-3-Amino-3-phenylpropanoic acid40856-44-8100 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-390 % similar (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-368 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-468 % similar (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-368 % similar β-Amino-3-fluorobenzenepropanoic acid117391-51-267 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-267 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-967 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

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