chempirical

3-(3-Aminophenyl)propionic acid

C9H11NO2CAS 1664-54-6165.19 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
83 °C
logP
1.29Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
1664-54-6
SMILES
Nc1cccc(CCC(=O)O)c1
InChIKey
SBHFVSXLYOBZKD-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)

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Names and synonyms

6 names
  • Benzenepropanoic acid, 3-amino-
  • Hydrocinnamic acid, m-amino-
  • 3-Aminobenzenepropanoic acid
  • 3-Aminohydrocinnamic acid
  • β-(3-Aminophenyl)propionic acid
  • 3-(2-Carboxyethyl)aniline

Work with 3-(3-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

(3-Aminophenyl)acetic acid14338-36-473 % similar 3-(4-Aminophenyl)propionic acid2393-17-169 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-266 % similar 3-(3-Fluorophenyl)propionic acid458-45-766 % similar 3-(3′-Hydroxyphenyl)propionic acid621-54-566 % similar Phenylpropanoic acid501-52-065 % similar 3-(3-Bromophenyl)propionic acid42287-90-164 % similar 1,4-Benzenedipropanoic acid4251-21-260 % 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 N-(4-Hydroxyphenyl)propanamide1693-37-4 N-(Phenylmethyl)glycine17136-36-6

Elsewhere

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