2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid

C15H19NO2 — CID 117365326

IUPAC2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
SMILESCN1CC(c2ccc(C3(CC(=O)O)CC3)cc2)C1
InChIInChI=1S/C15H19NO2/c1-16-9-12(10-16)11-2-4-13(5-3-11)15(6-7-15)8-14(17)18/h2-5,12H,6-10H2,1H3,(H,17,18)
InChIKeyPMXQWWRTGDCLOX-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117365326) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117365326
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
SMILESCN1CC(c2ccc(C3(CC(=O)O)CC3)cc2)C1
InChIInChI=1S/C15H19NO2/c1-16-9-12(10-16)11-2-4-13(5-3-11)15(6-7-15)8-14(17)18/h2-5,12H,6-10H2,1H3,(H,17,18)
InChIKeyPMXQWWRTGDCLOX-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

Analyze 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-(thian-4-yl)phenyl]cyclopropyl]acetic acid
CID 117443081
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365328
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
CID 117466059
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
CID 117467649
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid
CID 117438263
4-(1-methylazetidin-3-yl)phenol
CID 84651703
2-[1-(4-methylsulfonyloxyphenyl)cyclopropyl]acetic acid
CID 117428980
2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117373943
2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
CID 115003473

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid (CID 117365326) is 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid is CN1CC(c2ccc(C3(CC(=O)O)CC3)cc2)C1.
What is the InChIKey of 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is PMXQWWRTGDCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-9-12(10-16)11-2-4-13(5-3-11)15(6-7-15)8-14(17)18/h2-5,12H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(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-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117365326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).