L-3-Pyridylalanine

C₈H₁₀N₂O₂CAS 64090-98-8166.18 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
Stereocentres: Sin SMILES atom order

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

64090-98-8

SMILES

C1=CC(=CN=C1)C[C@@H](C(=O)O)N

InChIKey

DFZVZEMNPGABKO-ZETCQYMHSA-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-/m0/s1

Weigh it out

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Names and synonyms

1 names

3-(3-Pyridyl)alanine

Work with L-3-Pyridylalanine

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.

(αR)-α-Amino-3-pyridinepropanoic acid70702-47-5Enantiomer

Similar compounds

L-4-Pyridylalanine37535-49-268 % similar (αR)-α-Amino-4-pyridinepropanoic acid37535-50-568 % similar DL-Phenylalanine150-30-167 % 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

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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