2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid

C11H14N2O3 — CID 102658118

IUPAC2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2ccncc2)C1
InChIInChI=1S/C11H14N2O3/c1-11(16-6-10(14)15)7-13(8-11)9-2-4-12-5-3-9/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyYAPYMYPJIDAYLE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.76
Rot. Bonds4

About 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid

2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid (PubChem CID 102658118) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
PubChem CID102658118
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2ccncc2)C1
InChIInChI=1S/C11H14N2O3/c1-11(16-6-10(14)15)7-13(8-11)9-2-4-12-5-3-9/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyYAPYMYPJIDAYLE-UHFFFAOYSA-N
XLogP0.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxyacetic acid
CID 102657954
2-[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxyacetic acid
CID 102657962
2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657927
2-[1-(4-bromo-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658010
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658060
2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658053
2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658023
2-[1-(2-carbamoyl-3-fluorophenyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658026
2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 103117253
2-[1-(4-bromobenzoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657591
2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid
CID 102659870

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid (CID 102658118) is 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid is CC1(OCC(=O)O)CN(c2ccncc2)C1.
What is the InChIKey of 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid?
The InChIKey is YAPYMYPJIDAYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(16-6-10(14)15)7-13(8-11)9-2-4-12-5-3-9/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid?
2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 102658118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).