methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate

C15H27NO3 — CID 102848086

IUPACmethyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
SMILESCCN(CC(=O)OC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H27NO3/c1-3-16(12-14(17)18-2)11-13-7-10-15(19-13)8-5-4-6-9-15/h13H,3-12H2,1-2H3
InChIKeyIUBSEPWDCHVRLO-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.36
Rot. Bonds5

About methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate

methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate (PubChem CID 102848086) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
PubChem CID102848086
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
SMILESCCN(CC(=O)OC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H27NO3/c1-3-16(12-14(17)18-2)11-13-7-10-15(19-13)8-5-4-6-9-15/h13H,3-12H2,1-2H3
InChIKeyIUBSEPWDCHVRLO-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate (CID 102848086) is methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate is CCN(CC(=O)OC)CC1CCC2(CCCCC2)O1.
What is the InChIKey of methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
The InChIKey is IUBSEPWDCHVRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-16(12-14(17)18-2)11-13-7-10-15(19-13)8-5-4-6-9-15/h13H,3-12H2,1-2H3.
What are the key properties of methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate is sourced from PubChem (CID 102848086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).