2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid

C13H16N2O5 — CID 102657522

IUPAC2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCc1ccc(C(=O)N2CC(C)(OCC(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-8-3-4-9(11(18)14-8)12(19)15-6-13(2,7-15)20-5-10(16)17/h3-4H,5-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLGRAWMIOSXEYAL-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.00
Rot. Bonds4

About 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657522) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657522
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCc1ccc(C(=O)N2CC(C)(OCC(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-8-3-4-9(11(18)14-8)12(19)15-6-13(2,7-15)20-5-10(16)17/h3-4H,5-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLGRAWMIOSXEYAL-UHFFFAOYSA-N
XLogP-0.00
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102657522) is 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid is Cc1ccc(C(=O)N2CC(C)(OCC(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is LGRAWMIOSXEYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-3-4-9(11(18)14-8)12(19)15-6-13(2,7-15)20-5-10(16)17/h3-4H,5-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 280.28 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).