2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid

C11H20N2O4 — CID 102657668

IUPAC2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-4-12(5-2)10(16)13-7-11(3,8-13)17-6-9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyJSKRMPNUGABQCN-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.62
Rot. Bonds5

About 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657668) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657668
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-4-12(5-2)10(16)13-7-11(3,8-13)17-6-9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyJSKRMPNUGABQCN-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657668) is 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid is CCN(CC)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is JSKRMPNUGABQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-12(5-2)10(16)13-7-11(3,8-13)17-6-9(14)15/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).