methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate

C16H29NO3 — CID 102848062

IUPACmethyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO3/c1-13(15(18)19-3)11-17(2)12-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyOBZODOUGWIRFEM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate

methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate (PubChem CID 102848062) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate
PubChem CID102848062
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO3/c1-13(15(18)19-3)11-17(2)12-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyOBZODOUGWIRFEM-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate (CID 102848062) is methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate is COC(=O)C(C)CN(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate?
The InChIKey is OBZODOUGWIRFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13(15(18)19-3)11-17(2)12-14-7-10-16(20-14)8-5-4-6-9-16/h13-14H,4-12H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate?
methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate has a molecular weight of 283.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 102848062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).