2-(2-oxoazetidin-1-yl)propyl butanoate

C10H17NO3 — CID 70410410

IUPAC2-(2-oxoazetidin-1-yl)propyl butanoate
SMILESCCCC(=O)OCC(C)N1CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-10(13)14-7-8(2)11-6-5-9(11)12/h8H,3-7H2,1-2H3
InChIKeyBFOVHVGSGFUGKQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds5

About 2-(2-oxoazetidin-1-yl)propyl butanoate

2-(2-oxoazetidin-1-yl)propyl butanoate (PubChem CID 70410410) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)propyl butanoate.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)propyl butanoate
PubChem CID70410410
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(2-oxoazetidin-1-yl)propyl butanoate
SMILESCCCC(=O)OCC(C)N1CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-10(13)14-7-8(2)11-6-5-9(11)12/h8H,3-7H2,1-2H3
InChIKeyBFOVHVGSGFUGKQ-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(2-oxoazetidin-1-yl)propanoate
CID 17889145
Ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
CID 12727490
1-Tert-butyl-4-(ethoxymethyl)azetidin-2-one
CID 135057164
2-(2,2-Dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
CID 162414642
methyl (2S)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-methylbutanoate
CID 178411518
2-[Butanoyl(methyl)amino]ethyl butanoate
CID 91712859
2-Acetoxyethyl-2-azetidinone
CID 20070653
Methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
(1,3,3-Trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
CID 59933630
Ethyl 3-[acetyl-(2-ethoxy-2-oxoethyl)amino]butanoate
CID 89297107
Ethane;methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 91587992
2-[Acetyl(methyl)amino]ethyl butanoate
CID 149367437

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-1-yl)propyl butanoate?
The IUPAC name of 2-(2-oxoazetidin-1-yl)propyl butanoate (CID 70410410) is 2-(2-oxoazetidin-1-yl)propyl butanoate.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)propyl butanoate?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)propyl butanoate is CCCC(=O)OCC(C)N1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)propyl butanoate?
The InChIKey is BFOVHVGSGFUGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-10(13)14-7-8(2)11-6-5-9(11)12/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2-oxoazetidin-1-yl)propyl butanoate?
2-(2-oxoazetidin-1-yl)propyl butanoate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)propyl butanoate is sourced from PubChem (CID 70410410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).