tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate

C16H26N2O6 — CID 24805627

IUPACtert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
SMILESCOC(=O)CN1C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C16H26N2O6/c1-15(2,3)24-14(22)18-9-5-7-16(18)8-6-11(19)17(13(16)21)10-12(20)23-4/h11,19H,5-10H2,1-4H3/t11?,16-/m1/s1
InChIKeyBMCNEXMMUAXDLJ-WVQRXBFSSA-N
MW342.39 g/mol
LogP0.87
Rot. Bonds2

About tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate

tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate (PubChem CID 24805627) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
PubChem CID24805627
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Nametert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
SMILESCOC(=O)CN1C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C16H26N2O6/c1-15(2,3)24-14(22)18-9-5-7-16(18)8-6-11(19)17(13(16)21)10-12(20)23-4/h11,19H,5-10H2,1-4H3/t11?,16-/m1/s1
InChIKeyBMCNEXMMUAXDLJ-WVQRXBFSSA-N
XLogP0.87
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102586
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 167163701
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 118589521
tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
CID 10250034
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 67354954
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate?
The IUPAC name of tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate (CID 24805627) is tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate is COC(=O)CN1C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate?
The InChIKey is BMCNEXMMUAXDLJ-WVQRXBFSSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-15(2,3)24-14(22)18-9-5-7-16(18)8-6-11(19)17(13(16)21)10-12(20)23-4/h11,19H,5-10H2,1-4H3/t11?,16-/m1/s1.
What are the key properties of tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate?
tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 24805627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).