trans-4-hydroxy-proline   

GtoPdb Ligand ID: 4704

Synonyms: 4-hydroxyproline
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 69.56
Molecular weight 131.06
XLogP -0.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1CNC(C1)C(=O)O
Isomeric SMILES O[C@H]1CN[C@@H](C1)C(=O)O
InChI InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChI Key PMMYEEVYMWASQN-DMTCNVIQSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
Synonyms
4-hydroxyproline
Database Links
CAS Registry No. 51-35-4 (source: Scifinder)
ChEBI CHEBI:18095
ChEMBL Ligand CHEMBL352418
DrugCentral Ligand 4272
GtoPdb PubChem SID 178101416
PubChem CID 5810
RCSB PDB Ligand HYP
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Wikipedia Hydroxyproline