(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C12H22N2O2 — CID 59657475

IUPAC(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC[C@@H]1NC(=O)OC12CCN(C)CC2
InChIInChI=1S/C12H22N2O2/c1-3-4-5-10-12(16-11(15)13-10)6-8-14(2)9-7-12/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyXSMKKPILXYACKA-JTQLQIEISA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds3

About (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 59657475) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID59657475
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC[C@@H]1NC(=O)OC12CCN(C)CC2
InChIInChI=1S/C12H22N2O2/c1-3-4-5-10-12(16-11(15)13-10)6-8-14(2)9-7-12/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyXSMKKPILXYACKA-JTQLQIEISA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl) carbamic acid ethyl ester
CID 10445156
Tert-butyl 4-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 105511886
Tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 46835582
8-Methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 126760908
4-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 298863
Tert-butyl 3-hydroxy-3-((methylamino)methyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91812180
Tert-butyl 3-((tert-butylamino)methyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91812183
4-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 15671039
Tert-butyl 3-(piperidin-2-yl)pyrrolidine-1-carboxylate
CID 16228839
3-Isopropyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286479
4-Ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286555
4-Butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 59657455

Frequently Asked Questions

What is the IUPAC name of (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 59657475) is (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC[C@@H]1NC(=O)OC12CCN(C)CC2.
What is the InChIKey of (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XSMKKPILXYACKA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-5-10-12(16-11(15)13-10)6-8-14(2)9-7-12/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 59657475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).