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

C12H14N2O4 — CID 116681235

IUPAC2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H14N2O4/c1-7(12(17)18)9-5-14(6-9)11(16)8-2-3-10(15)13-4-8/h2-4,7,9H,5-6H2,1H3,(H,13,15)(H,17,18)
InChIKeyDISMUVCIGDHGCL-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.17
Rot. Bonds3

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

2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681235) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681235
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H14N2O4/c1-7(12(17)18)9-5-14(6-9)11(16)8-2-3-10(15)13-4-8/h2-4,7,9H,5-6H2,1H3,(H,13,15)(H,17,18)
InChIKeyDISMUVCIGDHGCL-UHFFFAOYSA-N
XLogP0.17
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid (CID 116681235) is 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is DISMUVCIGDHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(12(17)18)9-5-14(6-9)11(16)8-2-3-10(15)13-4-8/h2-4,7,9H,5-6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).