2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid

C11H18N2O5 — CID 102657669

IUPAC2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NC2CCOC2)C1
InChIInChI=1S/C11H18N2O5/c1-11(18-5-9(14)15)6-13(7-11)10(16)12-8-2-3-17-4-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyVKIFIFLHDDGBOM-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.34
Rot. Bonds4

About 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657669) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657669
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NC2CCOC2)C1
InChIInChI=1S/C11H18N2O5/c1-11(18-5-9(14)15)6-13(7-11)10(16)12-8-2-3-17-4-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyVKIFIFLHDDGBOM-UHFFFAOYSA-N
XLogP-0.34
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.34
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-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid (CID 102657669) is 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)NC2CCOC2)C1.
What is the InChIKey of 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is VKIFIFLHDDGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(18-5-9(14)15)6-13(7-11)10(16)12-8-2-3-17-4-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 258.27 g/mol, XLogP of -0.34, 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-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).