chempirical

3-Pyridinepropanoic acid

C8H9NO2CAS 3724-19-4151.16 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
160–162 °C
logP
1.10Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
3724-19-4
SMILES
O=C(O)CCc1cccnc1
InChIKey
WDGXIUUWINKTGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)

Weigh it out

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

Names and synonyms

9 names
  • 3-Pyridinepropionic acid
  • 3-(3-Pyridyl)propanoic acid
  • 3-(3-Pyridyl)propionic acid
  • 3-(3′-Pyridyl)propionic acid
  • 3-(3-Pyridinyl)propanoic acid
  • NSC 89720
  • 3-(Pyridin-3-yl)propanoic acid
  • 3-(Pyridin-3-yl)propionic acid
  • 3-Pyridylpropionic acid

Work with 3-Pyridinepropanoic 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-Pyridineacetic acid501-81-570 % similar 3-Pyridylacetic acid hydrochloride6419-36-964 % similar 1,4-Benzenedipropanoic acid4251-21-260 % similar 3-Pyridineethanol6293-56-753 % similar 3-(3-Aminophenyl)propionic acid1664-54-653 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-253 % similar 3-(3-Fluorophenyl)propionic acid458-45-753 % similar 3-(3′-Hydroxyphenyl)propionic acid621-54-553 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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