2-(3-benzhydrylpyrrolidin-1-yl)acetic acid

C19H21NO2 — CID 68735452

IUPAC2-(3-benzhydrylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-18(22)14-20-12-11-17(13-20)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,21,22)
InChIKeyFNUXRUHBTKBSDW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid

2-(3-benzhydrylpyrrolidin-1-yl)acetic acid (PubChem CID 68735452) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzhydrylpyrrolidin-1-yl)acetic acid
PubChem CID68735452
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(3-benzhydrylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-18(22)14-20-12-11-17(13-20)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,21,22)
InChIKeyFNUXRUHBTKBSDW-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid (CID 68735452) is 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid is O=C(O)CN1CCC(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid?
The InChIKey is FNUXRUHBTKBSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(22)14-20-12-11-17(13-20)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2,(H,21,22).
What are the key properties of 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid?
2-(3-benzhydrylpyrrolidin-1-yl)acetic acid has a molecular weight of 295.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzhydrylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 68735452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).