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

C9H16N2O4 — CID 102657675

IUPAC2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-9(15-4-7(12)13)5-11(6-9)8(14)10(2)3/h4-6H2,1-3H3,(H,12,13)
InChIKeyBENATQZZWGDFPT-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.16
Rot. Bonds3

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

2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657675) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657675
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-9(15-4-7(12)13)5-11(6-9)8(14)10(2)3/h4-6H2,1-3H3,(H,12,13)
InChIKeyBENATQZZWGDFPT-UHFFFAOYSA-N
XLogP-0.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657675) is 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid is CN(C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is BENATQZZWGDFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(15-4-7(12)13)5-11(6-9)8(14)10(2)3/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).