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

C15H18N2O3 — CID 90319910

IUPACbenzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC1CCC2(CNC2=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-11-7-8-15(10-16-13(15)18)17(11)14(19)20-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyLSTKKAVSFRUELQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds2

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

benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 90319910) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Namebenzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID90319910
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namebenzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC1CCC2(CNC2=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-11-7-8-15(10-16-13(15)18)17(11)14(19)20-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyLSTKKAVSFRUELQ-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90320075
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl 1-carbonochloridoyl-2-methyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 87084643
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
5-(2-amino-3-hydroxybutanoyl)-6-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 76900068
benzyl (5R)-5-(2-hydroxyethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 131865074
benzyl (4S,5R)-2,2,5-trimethyl-4-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octane-5-carbonyl]-1,3-oxazolidine-3-carboxylate
CID 118593148
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046

Frequently Asked Questions

What is the IUPAC name of benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 90319910) is benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is CC1CCC2(CNC2=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is LSTKKAVSFRUELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-7-8-15(10-16-13(15)18)17(11)14(19)20-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18).
What are the key properties of benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 90319910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).