tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate

C24H36N2O5Si — CID 66852556

IUPACtert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C[C@H]1COCCN1C(=O)OC(C)(C)C)c([Si](C)(C)C)n2C
InChIInChI=1S/C24H36N2O5Si/c1-24(2,3)31-23(28)26-11-12-30-15-17(26)14-19-18-13-16(22(27)29-5)9-10-20(18)25(4)21(19)32(6,7)8/h9-10,13,17H,11-12,14-15H2,1-8H3/t17-/m0/s1
InChIKeyULLAFUBLJFIYKP-KRWDZBQOSA-N
MW460.65 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate

tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate (PubChem CID 66852556) has the molecular formula C24H36N2O5Si and a molecular weight of 460.65 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate
PubChem CID66852556
Molecular FormulaC24H36N2O5Si
Molecular Weight460.65 g/mol
Exact Mass460.24
IUPAC Nametert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C[C@H]1COCCN1C(=O)OC(C)(C)C)c([Si](C)(C)C)n2C
InChIInChI=1S/C24H36N2O5Si/c1-24(2,3)31-23(28)26-11-12-30-15-17(26)14-19-18-13-16(22(27)29-5)9-10-20(18)25(4)21(19)32(6,7)8/h9-10,13,17H,11-12,14-15H2,1-8H3/t17-/m0/s1
InChIKeyULLAFUBLJFIYKP-KRWDZBQOSA-N
XLogP3.69
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate (CID 66852556) is tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate is COC(=O)c1ccc2c(c1)c(C[C@H]1COCCN1C(=O)OC(C)(C)C)c([Si](C)(C)C)n2C.
What is the InChIKey of tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate?
The InChIKey is ULLAFUBLJFIYKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H36N2O5Si/c1-24(2,3)31-23(28)26-11-12-30-15-17(26)14-19-18-13-16(22(27)29-5)9-10-20(18)25(4)21(19)32(6,7)8/h9-10,13,17H,11-12,14-15H2,1-8H3/t17-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate?
tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate has a molecular weight of 460.65 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 66852556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).