3-(2-Pyridyl)-D-alanine
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. Search the SDS library
Identifiers
CAS number
37535-52-7SMILES
C1=CC=NC(=C1)C[C@H](C(=O)O)NInChIKey
PDRJLZDUOULRHE-SSDOTTSWSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(2-Pyridyl)-D-alanine
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.
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds