2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid

C21H25NO2 — CID 20507378

IUPAC2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid
SMILESCCC1N(CC(=O)O)C(C)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-3-19-21(17-10-6-4-7-11-17,18-12-8-5-9-13-18)14-16(2)22(19)15-20(23)24/h4-13,16,19H,3,14-15H2,1-2H3,(H,23,24)
InChIKeyKXVTTYWUFXDBRX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid

2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid (PubChem CID 20507378) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid
PubChem CID20507378
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid
SMILESCCC1N(CC(=O)O)C(C)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-3-19-21(17-10-6-4-7-11-17,18-12-8-5-9-13-18)14-16(2)22(19)15-20(23)24/h4-13,16,19H,3,14-15H2,1-2H3,(H,23,24)
InChIKeyKXVTTYWUFXDBRX-UHFFFAOYSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid (CID 20507378) is 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid is CCC1N(CC(=O)O)C(C)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid?
The InChIKey is KXVTTYWUFXDBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-19-21(17-10-6-4-7-11-17,18-12-8-5-9-13-18)14-16(2)22(19)15-20(23)24/h4-13,16,19H,3,14-15H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid?
2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid has a molecular weight of 323.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methyl-3,3-diphenylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 20507378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).