methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate

C13H22N2O3 — CID 10610966

IUPACmethyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate
SMILESCCCCCN1C(=O)CNC(C(=O)OC)C12CC2
InChIInChI=1S/C13H22N2O3/c1-3-4-5-8-15-10(16)9-14-11(12(17)18-2)13(15)6-7-13/h11,14H,3-9H2,1-2H3
InChIKeyGZFLTNAQVCCANG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds5

About methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate

methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate (PubChem CID 10610966) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate
PubChem CID10610966
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate
SMILESCCCCCN1C(=O)CNC(C(=O)OC)C12CC2
InChIInChI=1S/C13H22N2O3/c1-3-4-5-8-15-10(16)9-14-11(12(17)18-2)13(15)6-7-13/h11,14H,3-9H2,1-2H3
InChIKeyGZFLTNAQVCCANG-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate?
The IUPAC name of methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate (CID 10610966) is methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate.
What is the SMILES notation for methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate?
The canonical SMILES for methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate is CCCCCN1C(=O)CNC(C(=O)OC)C12CC2.
What is the InChIKey of methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate?
The InChIKey is GZFLTNAQVCCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-4-5-8-15-10(16)9-14-11(12(17)18-2)13(15)6-7-13/h11,14H,3-9H2,1-2H3.
What are the key properties of methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate?
methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate is sourced from PubChem (CID 10610966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).