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

C14H23N3O4 — CID 59311963

IUPACtert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-5-17-10(18)14(15-11(17)19)6-8-16(9-7-14)12(20)21-13(2,3)4/h5-9H2,1-4H3,(H,15,19)
InChIKeyFCYDUWHCJZRPDN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.33
Rot. Bonds1

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

tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 59311963) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID59311963
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-5-17-10(18)14(15-11(17)19)6-8-16(9-7-14)12(20)21-13(2,3)4/h5-9H2,1-4H3,(H,15,19)
InChIKeyFCYDUWHCJZRPDN-UHFFFAOYSA-N
XLogP1.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.33
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 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CID 59311963) is tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is CCN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is FCYDUWHCJZRPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-5-17-10(18)14(15-11(17)19)6-8-16(9-7-14)12(20)21-13(2,3)4/h5-9H2,1-4H3,(H,15,19).
What are the key properties of tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59311963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).