ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate

C14H24N2O3 — CID 90030426

IUPACethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate
SMILESCCOC(=O)C(C)(C)N1CCC2(CCNC2)C(=O)C1
InChIInChI=1S/C14H24N2O3/c1-4-19-12(18)13(2,3)16-8-6-14(11(17)9-16)5-7-15-10-14/h15H,4-10H2,1-3H3
InChIKeyFOBFTOJBOWYTRN-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.58
Rot. Bonds3

About ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate

ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate (PubChem CID 90030426) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate
PubChem CID90030426
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate
SMILESCCOC(=O)C(C)(C)N1CCC2(CCNC2)C(=O)C1
InChIInChI=1S/C14H24N2O3/c1-4-19-12(18)13(2,3)16-8-6-14(11(17)9-16)5-7-15-10-14/h15H,4-10H2,1-3H3
InChIKeyFOBFTOJBOWYTRN-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate (CID 90030426) is ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate is CCOC(=O)C(C)(C)N1CCC2(CCNC2)C(=O)C1.
What is the InChIKey of ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate?
The InChIKey is FOBFTOJBOWYTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-19-12(18)13(2,3)16-8-6-14(11(17)9-16)5-7-15-10-14/h15H,4-10H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate?
ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate has a molecular weight of 268.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(6-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanoate is sourced from PubChem (CID 90030426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).