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

C9H15NO5 — CID 102657221

IUPAC2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H15NO5/c1-9(15-4-8(12)13)5-10(6-9)7(11)3-14-2/h3-6H2,1-2H3,(H,12,13)
InChIKeyJNPDBZRJHUWDKD-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.67
Rot. Bonds5

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

2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657221) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657221
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H15NO5/c1-9(15-4-8(12)13)5-10(6-9)7(11)3-14-2/h3-6H2,1-2H3,(H,12,13)
InChIKeyJNPDBZRJHUWDKD-UHFFFAOYSA-N
XLogP-0.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657221) is 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid is COCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is JNPDBZRJHUWDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(15-4-8(12)13)5-10(6-9)7(11)3-14-2/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 217.22 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).