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

C11H19NO6 — CID 102657102

IUPAC2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOCCOCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H19NO6/c1-11(18-6-10(14)15)7-12(8-11)9(13)5-17-4-3-16-2/h3-8H2,1-2H3,(H,14,15)
InChIKeyKOHYFLVNHGYDNR-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.65
Rot. Bonds8

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

2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657102) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657102
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOCCOCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H19NO6/c1-11(18-6-10(14)15)7-12(8-11)9(13)5-17-4-3-16-2/h3-8H2,1-2H3,(H,14,15)
InChIKeyKOHYFLVNHGYDNR-UHFFFAOYSA-N
XLogP-0.65
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102657102) is 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid is COCCOCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is KOHYFLVNHGYDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-11(18-6-10(14)15)7-12(8-11)9(13)5-17-4-3-16-2/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 261.27 g/mol, XLogP of -0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).