2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone

C9H16N2O2 — CID 107217667

IUPAC2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CC(O)C2)CCC1
InChIInChI=1S/C9H16N2O2/c10-9(2-1-3-9)4-8(13)11-5-7(12)6-11/h7,12H,1-6,10H2
InChIKeyVAEUBYQRLUXCKS-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.54
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 107217667) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID107217667
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CC(O)C2)CCC1
InChIInChI=1S/C9H16N2O2/c10-9(2-1-3-9)4-8(13)11-5-7(12)6-11/h7,12H,1-6,10H2
InChIKeyVAEUBYQRLUXCKS-UHFFFAOYSA-N
XLogP-0.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 107217667) is 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone is NC1(CC(=O)N2CC(O)C2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is VAEUBYQRLUXCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(2-1-3-9)4-8(13)11-5-7(12)6-11/h7,12H,1-6,10H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 184.24 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 107217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).