pentan-2-yl 2-morpholin-3-ylacetate

C11H21NO3 — CID 102982492

IUPACpentan-2-yl 2-morpholin-3-ylacetate
SMILESCCCC(C)OC(=O)CC1COCCN1
InChIInChI=1S/C11H21NO3/c1-3-4-9(2)15-11(13)7-10-8-14-6-5-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWVXBSTIMYWUUIM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

About pentan-2-yl 2-morpholin-3-ylacetate

pentan-2-yl 2-morpholin-3-ylacetate (PubChem CID 102982492) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is pentan-2-yl 2-morpholin-3-ylacetate.

Molecular Properties

Compound Namepentan-2-yl 2-morpholin-3-ylacetate
PubChem CID102982492
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepentan-2-yl 2-morpholin-3-ylacetate
SMILESCCCC(C)OC(=O)CC1COCCN1
InChIInChI=1S/C11H21NO3/c1-3-4-9(2)15-11(13)7-10-8-14-6-5-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWVXBSTIMYWUUIM-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 pentan-2-yl 2-morpholin-3-ylacetate?
The IUPAC name of pentan-2-yl 2-morpholin-3-ylacetate (CID 102982492) is pentan-2-yl 2-morpholin-3-ylacetate.
What is the SMILES notation for pentan-2-yl 2-morpholin-3-ylacetate?
The canonical SMILES for pentan-2-yl 2-morpholin-3-ylacetate is CCCC(C)OC(=O)CC1COCCN1.
What is the InChIKey of pentan-2-yl 2-morpholin-3-ylacetate?
The InChIKey is WVXBSTIMYWUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9(2)15-11(13)7-10-8-14-6-5-12-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of pentan-2-yl 2-morpholin-3-ylacetate?
pentan-2-yl 2-morpholin-3-ylacetate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 2-morpholin-3-ylacetate is sourced from PubChem (CID 102982492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).