1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

C11H19NO3 — CID 103526896

IUPAC1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CC(CO)C2)CCC1
InChIInChI=1S/C11H19NO3/c1-15-11(3-2-4-11)5-10(14)12-6-9(7-12)8-13/h9,13H,2-8H2,1H3
InChIKeyOFJXOCROQYQYDP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.40
Rot. Bonds4

About 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone

1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103526896) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
PubChem CID103526896
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CC(CO)C2)CCC1
InChIInChI=1S/C11H19NO3/c1-15-11(3-2-4-11)5-10(14)12-6-9(7-12)8-13/h9,13H,2-8H2,1H3
InChIKeyOFJXOCROQYQYDP-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone (CID 103526896) is 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CC(CO)C2)CCC1.
What is the InChIKey of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is OFJXOCROQYQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(3-2-4-11)5-10(14)12-6-9(7-12)8-13/h9,13H,2-8H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone?
1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103526896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).