ethyl 2-[ethyl(oxan-3-yl)amino]acetate

C11H21NO3 — CID 103892716

IUPACethyl 2-[ethyl(oxan-3-yl)amino]acetate
SMILESCCOC(=O)CN(CC)C1CCCOC1
InChIInChI=1S/C11H21NO3/c1-3-12(8-11(13)15-4-2)10-6-5-7-14-9-10/h10H,3-9H2,1-2H3
InChIKeyBQLRICJHEIQVDN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds5

About ethyl 2-[ethyl(oxan-3-yl)amino]acetate

ethyl 2-[ethyl(oxan-3-yl)amino]acetate (PubChem CID 103892716) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-[ethyl(oxan-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(oxan-3-yl)amino]acetate
PubChem CID103892716
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-[ethyl(oxan-3-yl)amino]acetate
SMILESCCOC(=O)CN(CC)C1CCCOC1
InChIInChI=1S/C11H21NO3/c1-3-12(8-11(13)15-4-2)10-6-5-7-14-9-10/h10H,3-9H2,1-2H3
InChIKeyBQLRICJHEIQVDN-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(oxan-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(oxan-3-yl)amino]acetate (CID 103892716) is ethyl 2-[ethyl(oxan-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(oxan-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(oxan-3-yl)amino]acetate is CCOC(=O)CN(CC)C1CCCOC1.
What is the InChIKey of ethyl 2-[ethyl(oxan-3-yl)amino]acetate?
The InChIKey is BQLRICJHEIQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(8-11(13)15-4-2)10-6-5-7-14-9-10/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(oxan-3-yl)amino]acetate?
ethyl 2-[ethyl(oxan-3-yl)amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(oxan-3-yl)amino]acetate is sourced from PubChem (CID 103892716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).