[(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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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).