2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid

C11H17N3O3 — CID 116684166

IUPAC2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCCc1nnc(CN2CC(C(C)C(=O)O)C2)o1
InChIInChI=1S/C11H17N3O3/c1-3-9-12-13-10(17-9)6-14-4-8(5-14)7(2)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyNZGNDFVIDSJCKH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.78
Rot. Bonds5

About 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid

2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684166) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
PubChem CID116684166
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCCc1nnc(CN2CC(C(C)C(=O)O)C2)o1
InChIInChI=1S/C11H17N3O3/c1-3-9-12-13-10(17-9)6-14-4-8(5-14)7(2)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyNZGNDFVIDSJCKH-UHFFFAOYSA-N
XLogP0.78
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid (CID 116684166) is 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid is CCc1nnc(CN2CC(C(C)C(=O)O)C2)o1.
What is the InChIKey of 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is NZGNDFVIDSJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-9-12-13-10(17-9)6-14-4-8(5-14)7(2)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).