2-phenyl-2-pyrrolidin-1-ylacetic acid

C12H15NO2 — CID 646078

IUPAC2-phenyl-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChIKeyHYOZIYFGQLGJFY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds3

About 2-phenyl-2-pyrrolidin-1-ylacetic acid

2-phenyl-2-pyrrolidin-1-ylacetic acid (PubChem CID 646078) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenyl-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-phenyl-2-pyrrolidin-1-ylacetic acid
PubChem CID646078
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-phenyl-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChIKeyHYOZIYFGQLGJFY-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-phenyl-2-pyrrolidin-1-ylacetic acid (CID 646078) is 2-phenyl-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-phenyl-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-phenyl-2-pyrrolidin-1-ylacetic acid is O=C(O)C(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-pyrrolidin-1-ylacetic acid?
The InChIKey is HYOZIYFGQLGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15).
What are the key properties of 2-phenyl-2-pyrrolidin-1-ylacetic acid?
2-phenyl-2-pyrrolidin-1-ylacetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 646078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).