2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid

C20H23NO2 — CID 67475637

IUPAC2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid
SMILESCCN1CCC(C(C(=O)O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-2-21-14-13-18(15-21)20(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,22,23)
InChIKeyBQKWGHPTGWFILN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.40
Rot. Bonds5

About 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid

2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid (PubChem CID 67475637) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid
PubChem CID67475637
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid
SMILESCCN1CCC(C(C(=O)O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-2-21-14-13-18(15-21)20(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,22,23)
InChIKeyBQKWGHPTGWFILN-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid (CID 67475637) is 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid is CCN1CCC(C(C(=O)O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid?
The InChIKey is BQKWGHPTGWFILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-21-14-13-18(15-21)20(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,22,23).
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid?
2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid has a molecular weight of 309.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetic acid is sourced from PubChem (CID 67475637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).