tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C15H25N3O4 — CID 18931349

IUPACtert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)N1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-10(2)18-11(19)15(16-12(18)20)6-8-17(9-7-15)13(21)22-14(3,4)5/h10H,6-9H2,1-5H3,(H,16,20)
InChIKeyHKUGVNGSHSBWFP-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 18931349) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID18931349
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)N1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-10(2)18-11(19)15(16-12(18)20)6-8-17(9-7-15)13(21)22-14(3,4)5/h10H,6-9H2,1-5H3,(H,16,20)
InChIKeyHKUGVNGSHSBWFP-UHFFFAOYSA-N
XLogP1.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CID 18931349) is tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is CC(C)N1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is HKUGVNGSHSBWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-10(2)18-11(19)15(16-12(18)20)6-8-17(9-7-15)13(21)22-14(3,4)5/h10H,6-9H2,1-5H3,(H,16,20).
What are the key properties of tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,4-dioxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 18931349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).