[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate

C20H23NO3 — CID 67195730

IUPAC[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
SMILESC[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCCN1
InChIInChI=1S/C20H23NO3/c1-15(18-13-8-14-21-18)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18,21,23H,8,13-14H2,1H3/t15-,18?/m0/s1
InChIKeyBHDBWVZVMHMAPJ-BUSXIPJBSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds5

About [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate

[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 67195730) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID67195730
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
SMILESC[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCCN1
InChIInChI=1S/C20H23NO3/c1-15(18-13-8-14-21-18)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18,21,23H,8,13-14H2,1H3/t15-,18?/m0/s1
InChIKeyBHDBWVZVMHMAPJ-BUSXIPJBSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
CID 67197472
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate
CID 70087162
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
1,1,2-triphenyl-2-piperidin-2-ylethanol
CID 4178886
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate (CID 67195730) is [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate is C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCCN1.
What is the InChIKey of [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is BHDBWVZVMHMAPJ-BUSXIPJBSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(18-13-8-14-21-18)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18,21,23H,8,13-14H2,1H3/t15-,18?/m0/s1.
What are the key properties of [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 325.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 67195730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).