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

C14H25NO4 — CID 62027132

IUPACethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)CC1COC2(CCCC2)O1
InChIInChI=1S/C14H25NO4/c1-3-15(10-13(16)17-4-2)9-12-11-18-14(19-12)7-5-6-8-14/h12H,3-11H2,1-2H3
InChIKeyUFGHRJPFNWLRST-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.56
Rot. Bonds6

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

ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate (PubChem CID 62027132) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate
PubChem CID62027132
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)CC1COC2(CCCC2)O1
InChIInChI=1S/C14H25NO4/c1-3-15(10-13(16)17-4-2)9-12-11-18-14(19-12)7-5-6-8-14/h12H,3-11H2,1-2H3
InChIKeyUFGHRJPFNWLRST-UHFFFAOYSA-N
XLogP1.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.56
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(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate (CID 62027132) is ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate is CCOC(=O)CN(CC)CC1COC2(CCCC2)O1.
What is the InChIKey of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate?
The InChIKey is UFGHRJPFNWLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-15(10-13(16)17-4-2)9-12-11-18-14(19-12)7-5-6-8-14/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate?
ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(ethyl)amino]acetate has a molecular weight of 271.36 g/mol, XLogP of 1.56, 6 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(ethyl)amino]acetate is sourced from PubChem (CID 62027132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).