2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid

C9H13N3O4 — CID 102659645

IUPAC2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(Cc2ncon2)C1
InChIInChI=1S/C9H13N3O4/c1-9(15-3-8(13)14)4-12(5-9)2-7-10-6-16-11-7/h6H,2-5H2,1H3,(H,13,14)
InChIKeyBEEDMPRJXXUJSH-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.25
Rot. Bonds5

About 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659645) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659645
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(Cc2ncon2)C1
InChIInChI=1S/C9H13N3O4/c1-9(15-3-8(13)14)4-12(5-9)2-7-10-6-16-11-7/h6H,2-5H2,1H3,(H,13,14)
InChIKeyBEEDMPRJXXUJSH-UHFFFAOYSA-N
XLogP-0.25
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid (CID 102659645) is 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(Cc2ncon2)C1.
What is the InChIKey of 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is BEEDMPRJXXUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-9(15-3-8(13)14)4-12(5-9)2-7-10-6-16-11-7/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).