2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid

C10H19NO5 — CID 107140977

IUPAC2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid
SMILESCOCCOCCOC1(CC(=O)O)CNC1
InChIInChI=1S/C10H19NO5/c1-14-2-3-15-4-5-16-10(6-9(12)13)7-11-8-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyVDELYNVFPJKBEI-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.52
Rot. Bonds9

About 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid

2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid (PubChem CID 107140977) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid
PubChem CID107140977
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid
SMILESCOCCOCCOC1(CC(=O)O)CNC1
InChIInChI=1S/C10H19NO5/c1-14-2-3-15-4-5-16-10(6-9(12)13)7-11-8-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyVDELYNVFPJKBEI-UHFFFAOYSA-N
XLogP-0.52
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
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-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid (CID 107140977) is 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid is COCCOCCOC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid?
The InChIKey is VDELYNVFPJKBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-14-2-3-15-4-5-16-10(6-9(12)13)7-11-8-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid?
2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid has a molecular weight of 233.26 g/mol, XLogP of -0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).