ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate

C11H21NO3 — CID 106824504

IUPACethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
SMILESCCNC1(CC(=O)OCC)CC(OC)C1
InChIInChI=1S/C11H21NO3/c1-4-12-11(6-9(7-11)14-3)8-10(13)15-5-2/h9,12H,4-8H2,1-3H3
InChIKeyLZYUSXDECDAURE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds6

About ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate

ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate (PubChem CID 106824504) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
PubChem CID106824504
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
SMILESCCNC1(CC(=O)OCC)CC(OC)C1
InChIInChI=1S/C11H21NO3/c1-4-12-11(6-9(7-11)14-3)8-10(13)15-5-2/h9,12H,4-8H2,1-3H3
InChIKeyLZYUSXDECDAURE-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate?
The IUPAC name of ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate (CID 106824504) is ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate?
The canonical SMILES for ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate is CCNC1(CC(=O)OCC)CC(OC)C1.
What is the InChIKey of ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate?
The InChIKey is LZYUSXDECDAURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-12-11(6-9(7-11)14-3)8-10(13)15-5-2/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate?
ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate is sourced from PubChem (CID 106824504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).