pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate

C18H19NO3 — CID 54005824

IUPACpyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(ON1CCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(22-19-13-7-8-14-19)18(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
InChIKeyKOUVFWKNDTZDEW-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.48
Rot. Bonds4

About pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate

pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate (PubChem CID 54005824) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Namepyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate
PubChem CID54005824
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namepyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(ON1CCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(22-19-13-7-8-14-19)18(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
InChIKeyKOUVFWKNDTZDEW-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
CID 6611667
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
[(2R)-1-azabicyclo[2.2.2]octan-2-yl] 2-hydroxy-2,2-diphenylacetate
CID 22081118
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277105
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
CID 90989848
tert-butyl (2S)-2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
CID 138979093
pyrrolidin-1-yl pyridine-2-carboxylate
CID 118695121
benzene;piperidin-1-yl acetate
CID 66953580
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
3-(4-methyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
CID 134109617
[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10665893

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate (CID 54005824) is pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate is O=C(ON1CCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is KOUVFWKNDTZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(22-19-13-7-8-14-19)18(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2.
What are the key properties of pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate?
pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 297.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 54005824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).