tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate

C24H43NO5Si — CID 71559459

IUPACtert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate
SMILESC[C@@H]1C[C@@H](CC=O)[C@]2(CCCN(C(=O)OC(C)(C)C)CCCC2=O)[C@@H](O[Si](C)(C)C)C1
InChIInChI=1S/C24H43NO5Si/c1-18-16-19(11-15-26)24(21(17-18)30-31(5,6)7)12-9-14-25(13-8-10-20(24)27)22(28)29-23(2,3)4/h15,18-19,21H,8-14,16-17H2,1-7H3/t18-,19-,21+,24+/m1/s1
InChIKeyFREPSPKQEAJFOW-OBFMXLEASA-N
MW453.70 g/mol
LogP5.21
Rot. Bonds4

About tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate

tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate (PubChem CID 71559459) has the molecular formula C24H43NO5Si and a molecular weight of 453.70 g/mol. Its IUPAC name is tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate
PubChem CID71559459
Molecular FormulaC24H43NO5Si
Molecular Weight453.70 g/mol
Exact Mass453.29
IUPAC Nametert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate
SMILESC[C@@H]1C[C@@H](CC=O)[C@]2(CCCN(C(=O)OC(C)(C)C)CCCC2=O)[C@@H](O[Si](C)(C)C)C1
InChIInChI=1S/C24H43NO5Si/c1-18-16-19(11-15-26)24(21(17-18)30-31(5,6)7)12-9-14-25(13-8-10-20(24)27)22(28)29-23(2,3)4/h15,18-19,21H,8-14,16-17H2,1-7H3/t18-,19-,21+,24+/m1/s1
InChIKeyFREPSPKQEAJFOW-OBFMXLEASA-N
XLogP5.21
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,3R,6S)-3-methyl-11-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dioxo-11-azaspiro[5.8]tetradecan-1-yl]acetic acid
CID 45113086
tert-butyl (1S)-4-methyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadec-8-ene-13-carboxylate
CID 135067265
tert-butyl (1S,6S)-4-methyl-2,8-dioxo-13-azatricyclo[7.7.0.01,6]hexadecane-13-carboxylate
CID 135025003
tert-butyl (9R)-4-methyl-8-oxo-2-tri(propan-2-yl)silyloxy-13-azatricyclo[7.7.0.01,6]hexadecane-13-carboxylate
CID 135019841
tert-butyl 4-methyl-5-oxoazepane-1-carboxylate;hydrochloride
CID 133062275
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl (1S,4R,6S,9E)-4-methyl-2,8-dioxo-13-azatricyclo[7.7.0.01,6]hexadec-9-ene-13-carboxylate
CID 71560839
tert-butyl (2R,5R)-2-formyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 71763342
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
tert-butyl azetidine-1-carboxylate iodide
CID 86693715

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate?
The IUPAC name of tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate (CID 71559459) is tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate.
What is the SMILES notation for tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate?
The canonical SMILES for tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate is C[C@@H]1C[C@@H](CC=O)[C@]2(CCCN(C(=O)OC(C)(C)C)CCCC2=O)[C@@H](O[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate?
The InChIKey is FREPSPKQEAJFOW-OBFMXLEASA-N. The full InChI is InChI=1S/C24H43NO5Si/c1-18-16-19(11-15-26)24(21(17-18)30-31(5,6)7)12-9-14-25(13-8-10-20(24)27)22(28)29-23(2,3)4/h15,18-19,21H,8-14,16-17H2,1-7H3/t18-,19-,21+,24+/m1/s1.
What are the key properties of tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate?
tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate has a molecular weight of 453.70 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,3R,5S,6R)-3-methyl-7-oxo-1-(2-oxoethyl)-5-trimethylsilyloxy-11-azaspiro[5.8]tetradecane-11-carboxylate is sourced from PubChem (CID 71559459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).