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

C14H23NO6 — CID 62954478

IUPACmethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC1COC2(CCCC2)O1
InChIInChI=1S/C14H23NO6/c1-18-12(16)8-15(9-13(17)19-2)7-11-10-20-14(21-11)5-3-4-6-14/h11H,3-10H2,1-2H3
InChIKeyYUTHGGVYXKTTPW-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.32
Rot. Bonds6

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

methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62954478) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62954478
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Namemethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC1COC2(CCCC2)O1
InChIInChI=1S/C14H23NO6/c1-18-12(16)8-15(9-13(17)19-2)7-11-10-20-14(21-11)5-3-4-6-14/h11H,3-10H2,1-2H3
InChIKeyYUTHGGVYXKTTPW-UHFFFAOYSA-N
XLogP0.32
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62954478) is methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)CC1COC2(CCCC2)O1.
What is the InChIKey of methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is YUTHGGVYXKTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-18-12(16)8-15(9-13(17)19-2)7-11-10-20-14(21-11)5-3-4-6-14/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 301.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62954478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).