ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate

C11H19NO3 — CID 155207621

IUPACethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(C(=O)C(C)C)C1
InChIInChI=1S/C11H19NO3/c1-4-15-10(13)7-12-5-9(6-12)11(14)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCUCDGZDVGRNXOO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds5

About ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate

ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate (PubChem CID 155207621) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate
PubChem CID155207621
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(C(=O)C(C)C)C1
InChIInChI=1S/C11H19NO3/c1-4-15-10(13)7-12-5-9(6-12)11(14)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCUCDGZDVGRNXOO-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(azocan-1-yl)acetate
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2-methyl-1-(1-propylazetidin-3-yl)propan-1-one
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1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
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sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
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methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
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CID 115667565
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CID 83993332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate (CID 155207621) is ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate is CCOC(=O)CN1CC(C(=O)C(C)C)C1.
What is the InChIKey of ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate?
The InChIKey is CUCDGZDVGRNXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-10(13)7-12-5-9(6-12)11(14)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate?
ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate is sourced from PubChem (CID 155207621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).