chempirical

L-4-Pyridylalanine

C8H10N2O2CAS 37535-49-2166.18 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
0.04Crippen estimate
Polar surface area
76.2 Ų
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
37535-49-2
SMILES
C1=CN=CC=C1C[C@@H](C(=O)O)N
InChIKey
FQFVANSXYKWQOT-ZETCQYMHSA-N
InChI
InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1

Weigh it out

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

Work with L-4-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-4-pyridinepropanoic acid37535-50-5Enantiomer

Similar compounds

DL-Phenylalanine150-30-170 % similar Phenylalanine63-91-270 % similar D-Phenylalanine673-06-370 % similar D-Tyrosine556-02-568 % similar DL-Tyrosine556-03-668 % similar Tyrosine60-18-468 % similar L-3-Pyridylalanine64090-98-868 % similar (αR)-α-Amino-3-pyridinepropanoic acid70702-47-568 % 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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