4-(1-hydroxyazetidin-3-yl)benzoic acid

C10H11NO3 — CID 118601711

IUPAC4-(1-hydroxyazetidin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(C2CN(O)C2)cc1
InChIInChI=1S/C10H11NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11(14)6-9/h1-4,9,14H,5-6H2,(H,12,13)
InChIKeyIAXRYFATEBOZDX-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.17
Rot. Bonds2

About 4-(1-hydroxyazetidin-3-yl)benzoic acid

4-(1-hydroxyazetidin-3-yl)benzoic acid (PubChem CID 118601711) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(1-hydroxyazetidin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-hydroxyazetidin-3-yl)benzoic acid
PubChem CID118601711
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(1-hydroxyazetidin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(C2CN(O)C2)cc1
InChIInChI=1S/C10H11NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11(14)6-9/h1-4,9,14H,5-6H2,(H,12,13)
InChIKeyIAXRYFATEBOZDX-UHFFFAOYSA-N
XLogP1.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methyl-2-oxo-1,3-diazinan-5-yl)benzoic acid
CID 105494158
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
terephthalic acid
CID 160582437
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
3-methyl-4-(3-phenylazetidin-1-yl)benzoic acid
CID 79686617
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
4-[(2S)-oxiran-2-yl]benzoic acid
CID 86313476
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyazetidin-3-yl)benzoic acid?
The IUPAC name of 4-(1-hydroxyazetidin-3-yl)benzoic acid (CID 118601711) is 4-(1-hydroxyazetidin-3-yl)benzoic acid.
What is the SMILES notation for 4-(1-hydroxyazetidin-3-yl)benzoic acid?
The canonical SMILES for 4-(1-hydroxyazetidin-3-yl)benzoic acid is O=C(O)c1ccc(C2CN(O)C2)cc1.
What is the InChIKey of 4-(1-hydroxyazetidin-3-yl)benzoic acid?
The InChIKey is IAXRYFATEBOZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11(14)6-9/h1-4,9,14H,5-6H2,(H,12,13).
What are the key properties of 4-(1-hydroxyazetidin-3-yl)benzoic acid?
4-(1-hydroxyazetidin-3-yl)benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyazetidin-3-yl)benzoic acid is sourced from PubChem (CID 118601711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).