2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid

C12H15NO2 — CID 115059058

IUPAC2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CCN2)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)12(6-7-13-12)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyHZIFEBJLAMMCQD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid

2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid (PubChem CID 115059058) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
PubChem CID115059058
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CCN2)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)12(6-7-13-12)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyHZIFEBJLAMMCQD-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)azetidin-2-yl]ethanamine
CID 115059333
2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
CID 115059052
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
CID 22978374
1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
CID 82285208
2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetic acid
CID 2877791
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
[2-(4-methylphenyl)piperidin-2-yl]methanamine
CID 115059311
[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)
CID 143370731
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
CID 144672012
N-methyl-2-[1-(4-methylphenyl)cyclopentyl]acetamide
CID 59020002
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid?
The IUPAC name of 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid (CID 115059058) is 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid is Cc1ccc(C2(CC(=O)O)CCN2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid?
The InChIKey is HZIFEBJLAMMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)12(6-7-13-12)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid?
2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid is sourced from PubChem (CID 115059058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).