tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate

C15H24N2O4 — CID 22975784

IUPACtert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)CC2(CCNCC2)CC1=O
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(20)10-17-11(18)8-15(9-12(17)19)4-6-16-7-5-15/h16H,4-10H2,1-3H3
InChIKeyGXXJFHWXRWJXCC-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.85
Rot. Bonds2

About tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate

tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate (PubChem CID 22975784) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate
PubChem CID22975784
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)CC2(CCNCC2)CC1=O
InChIInChI=1S/C15H24N2O4/c1-14(2,3)21-13(20)10-17-11(18)8-15(9-12(17)19)4-6-16-7-5-15/h16H,4-10H2,1-3H3
InChIKeyGXXJFHWXRWJXCC-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate?
The IUPAC name of tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate (CID 22975784) is tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate is CC(C)(C)OC(=O)CN1C(=O)CC2(CCNCC2)CC1=O.
What is the InChIKey of tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate?
The InChIKey is GXXJFHWXRWJXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2,3)21-13(20)10-17-11(18)8-15(9-12(17)19)4-6-16-7-5-15/h16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate?
tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate has a molecular weight of 296.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetate is sourced from PubChem (CID 22975784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).