L-trans-2,4-pyrolidine dicarboxylate   

GtoPdb Ligand ID: 4516

Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 96.87
Molecular weight 158.05
XLogP -1.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-]C(=O)C1[NH2+]CC(C1)C(=O)[O-]
Isomeric SMILES [O-]C(=O)[C@H]1[NH2+]C[C@@H](C1)C(=O)[O-]
InChI InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1
InChI Key NRSBQSJHFYZIPH-DMTCNVIQSA-M
Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel