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

C20H23NO3 — CID 67197472

IUPAC[(1R)-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?/m1/s1
InChIKeyBHDBWVZVMHMAPJ-NNJIEVJOSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds5

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

[(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 67197472) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID67197472
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(1R)-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?/m1/s1
InChIKeyBHDBWVZVMHMAPJ-NNJIEVJOSA-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

Glycopyrrolate
CID 11693
Benactyzine
CID 9330
Glycopyrronium
CID 3494
Mepenzolate
CID 4057
Trospium
CID 5284632
Oxyphenonium
CID 5749
Pipenzolate
CID 4832
Mepenzolate Bromide
CID 6461
Benactyzine Hydrochloride
CID 66448
1-Methyl-4-piperidyl benzilate
CID 77157
Bevonium methyl sulfate
CID 31799
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-methyl-3-piperidinyl ester
CID 62495

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate (CID 67197472) is [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [(1R)-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 [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is BHDBWVZVMHMAPJ-NNJIEVJOSA-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?/m1/s1.
What are the key properties of [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate?
[(1R)-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 [(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 67197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).