1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone

C12H21NO3 — CID 103557185

IUPAC1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCCC1(O)CN(C(=O)CC2(OC)CCC2)C1
InChIInChI=1S/C12H21NO3/c1-3-11(15)8-13(9-11)10(14)7-12(16-2)5-4-6-12/h15H,3-9H2,1-2H3
InChIKeyYDCXDJDWVLNYQX-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.93
Rot. Bonds4

About 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone

1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557185) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557185
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCCC1(O)CN(C(=O)CC2(OC)CCC2)C1
InChIInChI=1S/C12H21NO3/c1-3-11(15)8-13(9-11)10(14)7-12(16-2)5-4-6-12/h15H,3-9H2,1-2H3
InChIKeyYDCXDJDWVLNYQX-UHFFFAOYSA-N
XLogP0.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103557185) is 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone is CCC1(O)CN(C(=O)CC2(OC)CCC2)C1.
What is the InChIKey of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is YDCXDJDWVLNYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-11(15)8-13(9-11)10(14)7-12(16-2)5-4-6-12/h15H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 227.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).