2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid

C12H13N3O2 — CID 116681902

IUPAC2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C12H13N3O2/c1-8(12(16)17)10-6-15(7-10)11-3-2-9(4-13)5-14-11/h2-3,5,8,10H,6-7H2,1H3,(H,16,17)
InChIKeyLVZQPHVBVFMGPL-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.11
Rot. Bonds3

About 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid

2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid (PubChem CID 116681902) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
PubChem CID116681902
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C12H13N3O2/c1-8(12(16)17)10-6-15(7-10)11-3-2-9(4-13)5-14-11/h2-3,5,8,10H,6-7H2,1H3,(H,16,17)
InChIKeyLVZQPHVBVFMGPL-UHFFFAOYSA-N
XLogP1.11
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid (CID 116681902) is 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(c2ccc(C#N)cn2)C1.
What is the InChIKey of 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid?
The InChIKey is LVZQPHVBVFMGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(12(16)17)10-6-15(7-10)11-3-2-9(4-13)5-14-11/h2-3,5,8,10H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid?
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).