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

C9H18N2O2 — CID 63089362

IUPAC2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-3-4-10-9(13)7(2)11-5-8(12)6-11/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKeyJKBJKXMXLUARFC-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds4

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

2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide (PubChem CID 63089362) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide
PubChem CID63089362
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-3-4-10-9(13)7(2)11-5-8(12)6-11/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKeyJKBJKXMXLUARFC-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
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-propylpropanamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide (CID 63089362) is 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide?
The InChIKey is JKBJKXMXLUARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-10-9(13)7(2)11-5-8(12)6-11/h7-8,12H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide?
2-(3-hydroxyazetidin-1-yl)-N-propylpropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.42, 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-propylpropanamide is sourced from PubChem (CID 63089362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).