2-(3-hydroxyazetidin-1-yl)-N-propylacetamide

C8H16N2O2 — CID 63091827

IUPAC2-(3-hydroxyazetidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CC(O)C1
InChIInChI=1S/C8H16N2O2/c1-2-3-9-8(12)6-10-4-7(11)5-10/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeyKZRBLXRFGBQNJL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds4

About 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide

2-(3-hydroxyazetidin-1-yl)-N-propylacetamide (PubChem CID 63091827) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-propylacetamide
PubChem CID63091827
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CC(O)C1
InChIInChI=1S/C8H16N2O2/c1-2-3-9-8(12)6-10-4-7(11)5-10/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeyKZRBLXRFGBQNJL-UHFFFAOYSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide (CID 63091827) is 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide is CCCNC(=O)CN1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide?
The InChIKey is KZRBLXRFGBQNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-9-8(12)6-10-4-7(11)5-10/h7,11H,2-6H2,1H3,(H,9,12).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide?
2-(3-hydroxyazetidin-1-yl)-N-propylacetamide has a molecular weight of 172.23 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 63091827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).