Beta-(2-pyridyl)-dl-alanine

C₈H₁₀N₂O₂CAS 17407-39-5166.18 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
logP: 0.04Crippen 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 irritation100% of notifiers

Aggregated from the 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

17407-39-5

SMILES

C1=CC=NC(=C1)CC(C(=O)O)N

InChIKey

PDRJLZDUOULRHE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Pyridin-2-yl-L-alanine

Work with Beta-(2-pyridyl)-dl-alanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(2-Pyridyl)-L-alanine37535-51-6Defined stereoisomer 3-(2-Pyridyl)-D-alanine37535-52-7Defined stereoisomer

Similar compounds

DL-Phenylalanine150-30-159 % similar Phenylalanine63-91-259 % similar D-Phenylalanine673-06-359 % similar L-4-Pyridylalanine37535-49-256 % similar (αR)-α-Amino-4-pyridinepropanoic acid37535-50-556 % similar L-4-Thiazolylalanine119433-80-656 % similar D-4-Thiazolylalanine131896-42-956 % similar L-3-Pyridylalanine64090-98-855 % 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 Methyl 2-(6-aminopyridin-3-yl)acetate174891-02-2

Elsewhere

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