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

C₈H₁₀N₂O₂CAS 62247-21-6166.18 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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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