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

C13H23NO3 — CID 79919751

IUPACmethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
SMILESCOC(=O)CN(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO3/c1-14(10-12(15)16-2)11-5-8-17-13(9-11)6-3-4-7-13/h11H,3-10H2,1-2H3
InChIKeyASYSDDLGRXBSDT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.58
Rot. Bonds3

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

methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate (PubChem CID 79919751) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
PubChem CID79919751
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate
SMILESCOC(=O)CN(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO3/c1-14(10-12(15)16-2)11-5-8-17-13(9-11)6-3-4-7-13/h11H,3-10H2,1-2H3
InChIKeyASYSDDLGRXBSDT-UHFFFAOYSA-N
XLogP1.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate (CID 79919751) is methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate is COC(=O)CN(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
The InChIKey is ASYSDDLGRXBSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(10-12(15)16-2)11-5-8-17-13(9-11)6-3-4-7-13/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate?
methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]acetate is sourced from PubChem (CID 79919751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).