ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate

C14H25NO3 — CID 79919284

IUPACethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25NO3/c1-3-17-13(16)11-15(2)12-6-9-18-14(10-12)7-4-5-8-14/h12H,3-11H2,1-2H3
InChIKeyBMADIPWIPUIMRP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate

ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate (PubChem CID 79919284) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
PubChem CID79919284
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25NO3/c1-3-17-13(16)11-15(2)12-6-9-18-14(10-12)7-4-5-8-14/h12H,3-11H2,1-2H3
InChIKeyBMADIPWIPUIMRP-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate (CID 79919284) is ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate is CCOC(=O)CN(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
The InChIKey is BMADIPWIPUIMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-17-13(16)11-15(2)12-6-9-18-14(10-12)7-4-5-8-14/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate is sourced from PubChem (CID 79919284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).