2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid

C15H19NO2 — CID 117365328

IUPAC2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
SMILESCN1CC(c2ccccc2C2(CC(=O)O)CC2)C1
InChIInChI=1S/C15H19NO2/c1-16-9-11(10-16)12-4-2-3-5-13(12)15(6-7-15)8-14(17)18/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyIQKRJVDRWVWYMY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid

2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117365328) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117365328
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
SMILESCN1CC(c2ccccc2C2(CC(=O)O)CC2)C1
InChIInChI=1S/C15H19NO2/c1-16-9-11(10-16)12-4-2-3-5-13(12)15(6-7-15)8-14(17)18/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyIQKRJVDRWVWYMY-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid (CID 117365328) is 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid is CN1CC(c2ccccc2C2(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is IQKRJVDRWVWYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-9-11(10-16)12-4-2-3-5-13(12)15(6-7-15)8-14(17)18/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117365328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).