1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol

C13H26N2O4 — CID 164767435

IUPAC1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol
SMILESCC(COCCOC(C)N1CC(O)C1)N1CC(O)C1
InChIInChI=1S/C13H26N2O4/c1-10(14-5-12(16)6-14)9-18-3-4-19-11(2)15-7-13(17)8-15/h10-13,16-17H,3-9H2,1-2H3
InChIKeyJLDSTGGHALYOLQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.89
Rot. Bonds8

About 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol

1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol (PubChem CID 164767435) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol
PubChem CID164767435
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol
SMILESCC(COCCOC(C)N1CC(O)C1)N1CC(O)C1
InChIInChI=1S/C13H26N2O4/c1-10(14-5-12(16)6-14)9-18-3-4-19-11(2)15-7-13(17)8-15/h10-13,16-17H,3-9H2,1-2H3
InChIKeyJLDSTGGHALYOLQ-UHFFFAOYSA-N
XLogP-0.89
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol?
The IUPAC name of 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol (CID 164767435) is 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol is CC(COCCOC(C)N1CC(O)C1)N1CC(O)C1.
What is the InChIKey of 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol?
The InChIKey is JLDSTGGHALYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(14-5-12(16)6-14)9-18-3-4-19-11(2)15-7-13(17)8-15/h10-13,16-17H,3-9H2,1-2H3.
What are the key properties of 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol?
1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol has a molecular weight of 274.36 g/mol, XLogP of -0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[1-(3-hydroxyazetidin-1-yl)ethoxy]ethoxy]propan-2-yl]azetidin-3-ol is sourced from PubChem (CID 164767435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).