chempirical

3-(4-Aminophenyl)propionic acid

C9H11NO2CAS 2393-17-1165.19 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
195–196 °C
logP
1.29Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
2393-17-1
SMILES
Nc1ccc(CCC(=O)O)cc1
InChIKey
WXOHKMNWMKZMND-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)

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

Names and synonyms

10 names
  • Benzenepropanoic acid, 4-amino-
  • Hydrocinnamic acid, p-amino-
  • 4-Aminobenzenepropanoic acid
  • β-(4-Aminophenyl)propionic acid
  • 4-Aminohydrocinnamic acid
  • 3-(p-Aminophenyl)propionic acid
  • p-Aminohydrocinnamic acid
  • NSC 25083
  • 3-(4-Aminophenyl)propanoic acid
  • 3-(p-Aminophenyl)propanoic acid

Work with 3-(4-Aminophenyl)propionic 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

1,4-Benzenedipropanoic acid4251-21-276 % similar Phloretic acid501-97-363 % similar 3-(4-Methylphenyl)propionic acid1505-50-661 % similar 3-(4-Bromophenyl)propionic acid1643-30-761 % similar 3-(4-Fluorophenyl)propionic acid459-31-461 % similar Dihydrocaffeic acid1078-61-156 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-956 % similar N-(4-Aminobenzoyl)-β-alanine7377-08-454 % 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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