methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate

C13H23NO2 — CID 63158505

IUPACmethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCOC(=O)C(C)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-11(12(15)16-2)14-9-7-13(8-10-14)5-3-4-6-13/h11H,3-10H2,1-2H3
InChIKeyPPMCUHCGOZAZCH-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate

methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate (PubChem CID 63158505) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
PubChem CID63158505
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCOC(=O)C(C)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-11(12(15)16-2)14-9-7-13(8-10-14)5-3-4-6-13/h11H,3-10H2,1-2H3
InChIKeyPPMCUHCGOZAZCH-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
The IUPAC name of methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate (CID 63158505) is methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate.
What is the SMILES notation for methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
The canonical SMILES for methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate is COC(=O)C(C)N1CCC2(CCCC2)CC1.
What is the InChIKey of methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
The InChIKey is PPMCUHCGOZAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(12(15)16-2)14-9-7-13(8-10-14)5-3-4-6-13/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate is sourced from PubChem (CID 63158505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).