UCSF

ZINC01388451

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Popular Name: (2S,4R)-Methyl 1-benzoyl-4-hydroxypyrrolidine-2-carboxylate (2S,4R)-Methyl 1-benzoyl-4-hydro…

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CAS Numbers: 120806-96-4 , 31560-20-0

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.24 3.11 -16.68 1 5 0 67 249.266 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 145 - 147 KeyOrganics
PUBCHEM_PATENT_ID EP0973739A1; US4912230; US5631385; WO1998037065A1 IBM Patent Data

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