(αR)-α-Amino-3-pyridinepropanoic acid

C₈H₁₀N₂O₂CAS 70702-47-5166.18 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
Melting point: 167–168 °C
logP: 0.04Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

70702-47-5

SMILES

N[C@H](Cc1cccnc1)C(=O)O

InChIKey

DFZVZEMNPGABKO-SSDOTTSWSA-N

InChI

InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1

Weigh it out

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

Names and synonyms

6 names

3-Pyridinepropanoic acid, α-amino-, (αR)-
3-Pyridinepropanoic acid, α-amino-, (R)-
3-(3-Pyridyl)-D-alanine
β-(3-Pyridyl)-D-alanine
(2R)-2-Amino-3-(pyridin-3-yl)propanoic acid
(2R)-2-Azaniumyl-3-pyridin-3-ylpropanoate

Work with (αR)-α-Amino-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

(αR)-α-Amino-4-pyridinepropanoic acid37535-50-568 % similar Phenylalanine63-91-267 % similar D-Phenylalanine673-06-367 % similar L-M-Tyrosine587-33-759 % similar Dl-M-tyrosine775-06-459 % similar 3-Fluoro-D-phenylalanine110117-84-557 % similar 3-Fluoro-L-phenylalanine19883-77-357 % similar 3-Fluorophenylalanine2629-54-157 % 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 3-Amino-4-methoxybenzamide17481-27-5 2-Ethyl-5-nitrobenzenamine20191-74-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook