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

C23H40N2O5 — CID 10905991

IUPACtert-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
SMILESCC(C)C[C@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C23H40N2O5/c1-16(2)15-17(18(26)29-21(3,4)5)24-13-9-11-23(19(24)27)12-10-14-25(23)20(28)30-22(6,7)8/h16-17H,9-15H2,1-8H3/t17-,23+/m1/s1
InChIKeyMCIFVTQZNNNHCX-HXOBKFHXSA-N
MW424.58 g/mol
LogP4.13
Rot. Bonds4

About 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

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 (PubChem CID 10905991) has the molecular formula C23H40N2O5 and a molecular weight of 424.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID10905991
Molecular FormulaC23H40N2O5
Molecular Weight424.58 g/mol
Exact Mass424.29
IUPAC Nametert-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
SMILESCC(C)C[C@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C23H40N2O5/c1-16(2)15-17(18(26)29-21(3,4)5)24-13-9-11-23(19(24)27)12-10-14-25(23)20(28)30-22(6,7)8/h16-17H,9-15H2,1-8H3/t17-,23+/m1/s1
InChIKeyMCIFVTQZNNNHCX-HXOBKFHXSA-N
XLogP4.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 121308582
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 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 (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 11342203
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 24805627
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C[C@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of 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?
The InChIKey is MCIFVTQZNNNHCX-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H40N2O5/c1-16(2)15-17(18(26)29-21(3,4)5)24-13-9-11-23(19(24)27)12-10-14-25(23)20(28)30-22(6,7)8/h16-17H,9-15H2,1-8H3/t17-,23+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 424.58 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10905991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).