UCSF

ZINC53993791

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2010 10 Yes

Popular Name: (2R,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride (2R,4R)-Methyl 4-hydroxypyrrolid…

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CAS Numbers: 114676-47-0 , 114676-59-4 , 178962-09-9 , 217184-95-7 , 221137-68-4 , 40126-30-5 , 40216-83-9 , 481704-21-6 , [114676-59-4]

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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) -0.57 -2.22 -6.14 2 4 0 59 145.158 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 121-123° Oakwood Chemical
MP 148 - 150 Enamine Building Blocks
MP 148...150 Enamine Building Blocks
MP 156 - 160 Enamine Building Blocks
MP 157 - 159 Enamine Building Blocks
MP 157...159 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999012034A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.