ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate

C10H19NO3 — CID 91587992

IUPACethane;methyl 2-(2-oxoazetidin-1-yl)butanoate
SMILESCC.CCC(C(=O)OC)N1CCC1=O
InChIInChI=1S/C8H13NO3.C2H6/c1-3-6(8(11)12-2)9-5-4-7(9)10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyIGLVXXZYRCJHFE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.20
Rot. Bonds3

About ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate

ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate (PubChem CID 91587992) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate.

Molecular Properties

Compound Nameethane;methyl 2-(2-oxoazetidin-1-yl)butanoate
PubChem CID91587992
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethane;methyl 2-(2-oxoazetidin-1-yl)butanoate
SMILESCC.CCC(C(=O)OC)N1CCC1=O
InChIInChI=1S/C8H13NO3.C2H6/c1-3-6(8(11)12-2)9-5-4-7(9)10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyIGLVXXZYRCJHFE-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate?
The IUPAC name of ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate (CID 91587992) is ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate.
What is the SMILES notation for ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate?
The canonical SMILES for ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate is CC.CCC(C(=O)OC)N1CCC1=O.
What is the InChIKey of ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate?
The InChIKey is IGLVXXZYRCJHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2H6/c1-3-6(8(11)12-2)9-5-4-7(9)10;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate?
ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate is sourced from PubChem (CID 91587992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).