propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate

C8H15NO3 — CID 63282457

IUPACpropan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CC(O)C1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(11)5-9-3-7(10)4-9/h6-7,10H,3-5H2,1-2H3
InChIKeyGDZDUNLFYQYXIK-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.39
Rot. Bonds3

About propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate

propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate (PubChem CID 63282457) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate
PubChem CID63282457
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CC(O)C1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(11)5-9-3-7(10)4-9/h6-7,10H,3-5H2,1-2H3
InChIKeyGDZDUNLFYQYXIK-UHFFFAOYSA-N
XLogP-0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate (CID 63282457) is propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate is CC(C)OC(=O)CN1CC(O)C1.
What is the InChIKey of propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate?
The InChIKey is GDZDUNLFYQYXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)12-8(11)5-9-3-7(10)4-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate?
propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate has a molecular weight of 173.21 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate is sourced from PubChem (CID 63282457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).