(S)-3-amino-2-methylpropanoate   Click here for help

GtoPdb Ligand ID: 6610

PDB Ligand
Compound class: Metabolite
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 67.77
Molecular weight 103.06
XLogP -0.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES [O-]C(=O)C(C[NH3+])C
Isomeric SMILES [O-]C(=O)[C@H](C[NH3+])C
InChI InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key QCHPKSFMDHPSNR-VKHMYHEASA-N
Classification Click here for help
Compound class Metabolite
IUPAC Name Click here for help
(2S)-3-azaniumyl-2-methylpropanoate
Database Links Click here for help
ChEBI CHEBI:58655
GtoPdb PubChem SID 178103223
LIPID MAPS LMFA01100050
PubChem CID 6971062
RCSB PDB Ligand 62H
Search Google for chemical match using the InChIKey QCHPKSFMDHPSNR-VKHMYHEASA-N
Search Google for chemicals with the same backbone QCHPKSFMDHPSNR
UniChem Compound Search for chemical match using the InChIKey QCHPKSFMDHPSNR-VKHMYHEASA-N
UniChem Connectivity Search for chemical match using the InChIKey QCHPKSFMDHPSNR-VKHMYHEASA-N