chempirical

3-Amino-3-(pyridin-3-yl)propanoic acid

C8H10N2O2CAS 62247-21-6166.18 g/mol

Open in Covalent MOL file
NOHOH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H10N2O2
Molar mass
166.18 g/mol
Exact mass
166.0742 Da
logP
0.56Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62247-21-6
SMILES
C1=CC(=CN=C1)C(CC(=O)O)N
InChIKey
QOTCEJINJFHMLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c9-7(4-8(11)12)6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)

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Names and synonyms

1 names
  • (Rs)-3-amino-3-(3-pyridyl)-propionic acid

Work with 3-Amino-3-(pyridin-3-yl)propanoic 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-Amino-3-phenylpropanoic acid13921-90-967 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-867 % similar DL-β-Phenylalanine614-19-767 % similar (3S)-3-Amino-3-phenylpropanoic acid hydrochloride83649-47-262 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-362 % similar β-Amino-3-fluorobenzenepropanoic acid117391-51-257 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-257 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-957 % similar

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

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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