L-trans-2,4-pyrolidine dicarboxylate   

GtoPdb Ligand ID: 4516

Compound class: Synthetic organic
2D Structure
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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
Classification
Compound class Synthetic organic
IUPAC Name
(2S,4R)-pyrrolidin-1-ium-2,4-dicarboxylate
Database Links
GtoPdb PubChem SID 178101241
PubChem CID 40466934
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