2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid

C13H15NO4 — CID 64602979

IUPAC2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CC(CC(=O)O)C2)c(O)c1
InChIInChI=1S/C13H15NO4/c1-8-2-3-10(11(15)4-8)13(18)14-6-9(7-14)5-12(16)17/h2-4,9,15H,5-7H2,1H3,(H,16,17)
InChIKeyQTVAECMWRBEGGX-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.25
Rot. Bonds3

About 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid

2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid (PubChem CID 64602979) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid
PubChem CID64602979
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CC(CC(=O)O)C2)c(O)c1
InChIInChI=1S/C13H15NO4/c1-8-2-3-10(11(15)4-8)13(18)14-6-9(7-14)5-12(16)17/h2-4,9,15H,5-7H2,1H3,(H,16,17)
InChIKeyQTVAECMWRBEGGX-UHFFFAOYSA-N
XLogP1.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
2-[1-(2-bromo-5-methylbenzoyl)azetidin-3-yl]acetic acid
CID 81111025
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358
[4-(cyclopropylmethyl)piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 61062640
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 43603913
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid (CID 64602979) is 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid is Cc1ccc(C(=O)N2CC(CC(=O)O)C2)c(O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid?
The InChIKey is QTVAECMWRBEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8-2-3-10(11(15)4-8)13(18)14-6-9(7-14)5-12(16)17/h2-4,9,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid?
2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methylbenzoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64602979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).