3-(2-Pyridyl)-D-alanine

C8H10N2O2CAS 37535-52-7166.18 g/mol

Open in Covalent MOL file
NOOHH2N
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
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
37535-52-7
SMILES
C1=CC=NC(=C1)C[C@H](C(=O)O)N
InChIKey
PDRJLZDUOULRHE-SSDOTTSWSA-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)/t7-/m1/s1

Weigh it out

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

Work with 3-(2-Pyridyl)-D-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-alanine37535-51-6Enantiomer Beta-(2-pyridyl)-dl-alanine17407-39-5Stereo not defined

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

Elsewhere

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