This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Turicine

PubChem CID: 6560290

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Turicine, 515-24-2, (+)-Turicine, Turicine [MI], cis-4-hydroxy-D-proline betaine, UNII-2Z3FY9NSMR, 2Z3FY9NSMR, Combretin A, (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate, Pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt, (2R,4R)-, cis-hydroxyproline betaine, (2R-Cis)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium inner salt, CHEBI:85534, (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate, Combretine A, SCHEMBL2582481, DTXSID901155403, AKOS030502853, C21513, Q27158627
Topological Polar Surface Area 60.4
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 173.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
Prediction Hob 1.0
Class Carboxylic acids and derivatives
Xlogp 0.1
Superclass Organic acids and derivatives
Subclass Amino acids, peptides, and analogues
Molecular Formula C7H13NO3
Prediction Swissadme 1.0
Inchi Key MUNWAHDYFVYIKH-PHDIDXHHSA-N
Fcsp3 0.8571428571428571
Logs -3.896
Rotatable Bond Count 0.0
State Solid
Logd 2.303
Synonyms (+)-Turicine, Combretin a, Turicine
Compound Name Turicine
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 159.09
Formal Charge 0.0
Monoisotopic Mass 159.09
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 159.18
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Esol -0.9562469999999996
Inchi InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1
Smiles C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Proline and derivatives