2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide

C9H18N2O2 — CID 63282746

IUPAC2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)10(3)9(13)6-11-4-8(12)5-11/h7-8,12H,4-6H2,1-3H3
InChIKeyLETGSOMBVHMZMO-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds3

About 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 63282746) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID63282746
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)10(3)9(13)6-11-4-8(12)5-11/h7-8,12H,4-6H2,1-3H3
InChIKeyLETGSOMBVHMZMO-UHFFFAOYSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 63282746) is 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is LETGSOMBVHMZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)10(3)9(13)6-11-4-8(12)5-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 186.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 63282746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).