ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate

C15H27NO4 — CID 62026386

IUPACethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)CC1COC2(CCCC2)O1
InChIInChI=1S/C15H27NO4/c1-3-9-16(11-14(17)18-4-2)10-13-12-19-15(20-13)7-5-6-8-15/h13H,3-12H2,1-2H3
InChIKeyGQHZZPKOHOBJET-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.95
Rot. Bonds7

About ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate

ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate (PubChem CID 62026386) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate
PubChem CID62026386
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)CC1COC2(CCCC2)O1
InChIInChI=1S/C15H27NO4/c1-3-9-16(11-14(17)18-4-2)10-13-12-19-15(20-13)7-5-6-8-15/h13H,3-12H2,1-2H3
InChIKeyGQHZZPKOHOBJET-UHFFFAOYSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate (CID 62026386) is ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate is CCCN(CC(=O)OCC)CC1COC2(CCCC2)O1.
What is the InChIKey of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate?
The InChIKey is GQHZZPKOHOBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-9-16(11-14(17)18-4-2)10-13-12-19-15(20-13)7-5-6-8-15/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate?
ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate has a molecular weight of 285.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(propyl)amino]acetate is sourced from PubChem (CID 62026386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).