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

C14H25NO2 — CID 63158460

IUPACethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCCOC(=O)C(C)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-3-17-13(16)12(2)15-10-8-14(9-11-15)6-4-5-7-14/h12H,3-11H2,1-2H3
InChIKeyCWBONDMVDHKTKO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds3

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

ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate (PubChem CID 63158460) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
PubChem CID63158460
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCCOC(=O)C(C)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-3-17-13(16)12(2)15-10-8-14(9-11-15)6-4-5-7-14/h12H,3-11H2,1-2H3
InChIKeyCWBONDMVDHKTKO-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
The IUPAC name of ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate (CID 63158460) is ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate.
What is the SMILES notation for ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
The canonical SMILES for ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate is CCOC(=O)C(C)N1CCC2(CCCC2)CC1.
What is the InChIKey of ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
The InChIKey is CWBONDMVDHKTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-17-13(16)12(2)15-10-8-14(9-11-15)6-4-5-7-14/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate?
ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate is sourced from PubChem (CID 63158460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).