methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate

C14H20N2O5 — CID 115947447

IUPACmethyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate
SMILESCOC(=O)C(CC(C)C)N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C14H20N2O5/c1-8(2)7-9(10(17)21-3)16-12(19)14(5-4-6-14)11(18)15-13(16)20/h8-9H,4-7H2,1-3H3,(H,15,18,20)
InChIKeyULGKESVMICBSJA-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.82
Rot. Bonds4

About methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate

methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate (PubChem CID 115947447) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate
PubChem CID115947447
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate
SMILESCOC(=O)C(CC(C)C)N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C14H20N2O5/c1-8(2)7-9(10(17)21-3)16-12(19)14(5-4-6-14)11(18)15-13(16)20/h8-9H,4-7H2,1-3H3,(H,15,18,20)
InChIKeyULGKESVMICBSJA-UHFFFAOYSA-N
XLogP0.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate?
The IUPAC name of methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate (CID 115947447) is methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate is COC(=O)C(CC(C)C)N1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate?
The InChIKey is ULGKESVMICBSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8(2)7-9(10(17)21-3)16-12(19)14(5-4-6-14)11(18)15-13(16)20/h8-9H,4-7H2,1-3H3,(H,15,18,20).
What are the key properties of methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate?
methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate has a molecular weight of 296.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)pentanoate is sourced from PubChem (CID 115947447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).