methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate

C15H27NO4 — CID 79623279

IUPACmethyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO4/c1-14(2,13(17)18-4)11-16(3)12-5-7-15(8-6-12)19-9-10-20-15/h12H,5-11H2,1-4H3
InChIKeyOBLNVSSXQNGBHA-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.80
Rot. Bonds4

About methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate

methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate (PubChem CID 79623279) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate
PubChem CID79623279
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO4/c1-14(2,13(17)18-4)11-16(3)12-5-7-15(8-6-12)19-9-10-20-15/h12H,5-11H2,1-4H3
InChIKeyOBLNVSSXQNGBHA-UHFFFAOYSA-N
XLogP1.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate (CID 79623279) is methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate?
The InChIKey is OBLNVSSXQNGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,13(17)18-4)11-16(3)12-5-7-15(8-6-12)19-9-10-20-15/h12H,5-11H2,1-4H3.
What are the key properties of methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate?
methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate has a molecular weight of 285.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79623279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).