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

C11H13NO3 — CID 83820204

IUPAC2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CC(O)C2)cc1
InChIInChI=1S/C11H13NO3/c13-10-6-12(7-10)9-3-1-8(2-4-9)5-11(14)15/h1-4,10,13H,5-7H2,(H,14,15)
InChIKeyQMUDIKWNBQXDFD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.49
Rot. Bonds3

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

2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid (PubChem CID 83820204) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
PubChem CID83820204
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CC(O)C2)cc1
InChIInChI=1S/C11H13NO3/c13-10-6-12(7-10)9-3-1-8(2-4-9)5-11(14)15/h1-4,10,13H,5-7H2,(H,14,15)
InChIKeyQMUDIKWNBQXDFD-UHFFFAOYSA-N
XLogP0.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]acetic acid
CID 84795976
2-[4-(3-ethylazetidin-1-yl)phenyl]acetic acid
CID 79687346
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317
2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]acetic acid
CID 79687129
2-(4-chlorosulfanylphenyl)acetic acid
CID 146211167
2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid
CID 154114926
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
2-[4-[1-[4-(carboxymethyl)phenyl]-2,7-dioxo-1,6-diazaspiro[4.4]nonan-6-yl]phenyl]acetic acid
CID 54162157
2-[4-[6-[[3-[4-(carboxymethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]acetic acid
CID 170039394

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid (CID 83820204) is 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid is O=C(O)Cc1ccc(N2CC(O)C2)cc1.
What is the InChIKey of 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid?
The InChIKey is QMUDIKWNBQXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10-6-12(7-10)9-3-1-8(2-4-9)5-11(14)15/h1-4,10,13H,5-7H2,(H,14,15).
What are the key properties of 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid?
2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 83820204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).