tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

C12H20N2O3 — CID 126626029

IUPACtert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC1CCC2(CNC2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-8-5-6-12(7-13-9(12)15)14(8)10(16)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyIMFWDFNVUFIUPL-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.27
Rot. Bonds

About tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 126626029) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID126626029
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC1CCC2(CNC2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-8-5-6-12(7-13-9(12)15)14(8)10(16)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyIMFWDFNVUFIUPL-UHFFFAOYSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate 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

tert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-methylamino]methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 139374418
3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315624
5-(2-amino-3-hydroxybutanoyl)-6-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 76900068
tert-butyl 3-hydroxy-7-oxo-2,5,8-triazadispiro[3.1.36.24]undecane-5-carboxylate
CID 134243854
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 135167833
tert-butyl 1,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155894383
2-ethoxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 174885391
tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate
CID 143944951
(5S)-2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 76844442
tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
CID 102209671
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 126626029) is tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is CC1CCC2(CNC2=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is IMFWDFNVUFIUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-5-6-12(7-13-9(12)15)14(8)10(16)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 126626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).