8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate

C15H23N3O6 — CID 67283408

IUPAC8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC12NC(=O)NC2=O
InChIInChI=1S/C15H23N3O6/c1-5-23-10(19)9-8-18(13(22)24-14(2,3)4)7-6-15(9)11(20)16-12(21)17-15/h9H,5-8H2,1-4H3,(H2,16,17,20,21)
InChIKeySHPKVJZCWIDYLV-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.38
Rot. Bonds2

About 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate

8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate (PubChem CID 67283408) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate
PubChem CID67283408
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC12NC(=O)NC2=O
InChIInChI=1S/C15H23N3O6/c1-5-23-10(19)9-8-18(13(22)24-14(2,3)4)7-6-15(9)11(20)16-12(21)17-15/h9H,5-8H2,1-4H3,(H2,16,17,20,21)
InChIKeySHPKVJZCWIDYLV-UHFFFAOYSA-N
XLogP0.38
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl (3R)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-3-carboxylate
CID 40032010
ethyl (3S)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 40032015
1-Acetonyl-2,5-dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833905
alpha,1-Diethyl-2,5-dioxo-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833911
1,4-Dimethyl-2,5-dioxo-alpha-ethyl-4-imidazolidineacetic acid ethyl ester
CID 20833912
2,5-Dioxo-alpha-ethyl-4-methyl-1-propyl-4-imidazolidineacetic acid ethyl ester
CID 20833915
Ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 47104651
Ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate
CID 118359354
Tert-butyl 2-methyl-3-[4-(morpholin-4-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 132270183
tert-butyl N-[[4-(oxan-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156370335
tert-butyl N-[[4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156385390
tert-butyl N-[[2,5-dioxo-4-(oxolan-3-yl)imidazolidin-4-yl]methyl]carbamate
CID 156385481

Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate (CID 67283408) is 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate is CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC12NC(=O)NC2=O.
What is the InChIKey of 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate?
The InChIKey is SHPKVJZCWIDYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-5-23-10(19)9-8-18(13(22)24-14(2,3)4)7-6-15(9)11(20)16-12(21)17-15/h9H,5-8H2,1-4H3,(H2,16,17,20,21).
What are the key properties of 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate?
8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate has a molecular weight of 341.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 6-O-ethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-6,8-dicarboxylate is sourced from PubChem (CID 67283408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).