8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H20N4O4 — CID 102655908

IUPAC8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(OCC(=O)N2CCC3(CC2)NC(=O)NC3=O)CNC1
InChIInChI=1S/C13H20N4O4/c1-12(7-14-8-12)21-6-9(18)17-4-2-13(3-5-17)10(19)15-11(20)16-13/h14H,2-8H2,1H3,(H2,15,16,19,20)
InChIKeyBCGBSIIGTMUIKR-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.43
Rot. Bonds3

About 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 102655908) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID102655908
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(OCC(=O)N2CCC3(CC2)NC(=O)NC3=O)CNC1
InChIInChI=1S/C13H20N4O4/c1-12(7-14-8-12)21-6-9(18)17-4-2-13(3-5-17)10(19)15-11(20)16-13/h14H,2-8H2,1H3,(H2,15,16,19,20)
InChIKeyBCGBSIIGTMUIKR-UHFFFAOYSA-N
XLogP-1.43
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 102655908) is 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1(OCC(=O)N2CCC3(CC2)NC(=O)NC3=O)CNC1.
What is the InChIKey of 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BCGBSIIGTMUIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-12(7-14-8-12)21-6-9(18)17-4-2-13(3-5-17)10(19)15-11(20)16-13/h14H,2-8H2,1H3,(H2,15,16,19,20).
What are the key properties of 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 102655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).