[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate

C18H19NO3 — CID 10613945

IUPAC[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(O[C@@H]1CCNC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(22-16-11-12-19-13-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,21H,11-13H2/t16-/m1/s1
InChIKeyCECGGRRIGNRBDE-MRXNPFEDSA-N
MW297.35 g/mol
LogP1.83
Rot. Bonds4

About [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate

[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 10613945) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID10613945
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(O[C@@H]1CCNC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(22-16-11-12-19-13-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,21H,11-13H2/t16-/m1/s1
InChIKeyCECGGRRIGNRBDE-MRXNPFEDSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 134123321
[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
CID 70907246
(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride
CID 517443
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
CID 76965754
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
[(1S,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 73415999
[3-(oxolan-1-ium-1-yl)cycloheptyl] 2-hydroxy-2,2-diphenylacetate
CID 177225438
[(5S)-5-tricyclo[5.2.0.01,3]nonanyl] 2-hydroxy-2,2-diphenylacetate
CID 146971372
[(4R,5S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-diphenylacetate
CID 59113550
pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 142775986

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate (CID 10613945) is [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate is O=C(O[C@@H]1CCNC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is CECGGRRIGNRBDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(22-16-11-12-19-13-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,21H,11-13H2/t16-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 297.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 10613945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).