ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate

C13H21NO3 — CID 11499668

IUPACethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate
SMILESCCOC(=O)CC1C(=O)CN1C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)8-11-12(15)9-14(11)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyKDXQFMHBXBWRNC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate

ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate (PubChem CID 11499668) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate
PubChem CID11499668
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate
SMILESCCOC(=O)CC1C(=O)CN1C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)8-11-12(15)9-14(11)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyKDXQFMHBXBWRNC-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate (CID 11499668) is ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate is CCOC(=O)CC1C(=O)CN1C1CCCCC1.
What is the InChIKey of ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate?
The InChIKey is KDXQFMHBXBWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(16)8-11-12(15)9-14(11)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate?
ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate has a molecular weight of 239.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate is sourced from PubChem (CID 11499668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).