tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate

C22H34N2O4Si — CID 90817567

IUPACtert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
SMILESCOc1ccc2c(C[C@H]3COCCN3C(=O)OC(C)(C)C)c([Si](C)(C)C)[nH]c2c1
InChIInChI=1S/C22H34N2O4Si/c1-22(2,3)28-21(25)24-10-11-27-14-15(24)12-18-17-9-8-16(26-4)13-19(17)23-20(18)29(5,6)7/h8-9,13,15,23H,10-12,14H2,1-7H3/t15-/m0/s1
InChIKeyHSMTULGSJHQXKS-HNNXBMFYSA-N
MW418.61 g/mol
LogP3.90
Rot. Bonds4

About tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate

tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate (PubChem CID 90817567) has the molecular formula C22H34N2O4Si and a molecular weight of 418.61 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
PubChem CID90817567
Molecular FormulaC22H34N2O4Si
Molecular Weight418.61 g/mol
Exact Mass418.23
IUPAC Nametert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
SMILESCOc1ccc2c(C[C@H]3COCCN3C(=O)OC(C)(C)C)c([Si](C)(C)C)[nH]c2c1
InChIInChI=1S/C22H34N2O4Si/c1-22(2,3)28-21(25)24-10-11-27-14-15(24)12-18-17-9-8-16(26-4)13-19(17)23-20(18)29(5,6)7/h8-9,13,15,23H,10-12,14H2,1-7H3/t15-/m0/s1
InChIKeyHSMTULGSJHQXKS-HNNXBMFYSA-N
XLogP3.90
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate (CID 90817567) is tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate is COc1ccc2c(C[C@H]3COCCN3C(=O)OC(C)(C)C)c([Si](C)(C)C)[nH]c2c1.
What is the InChIKey of tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
The InChIKey is HSMTULGSJHQXKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H34N2O4Si/c1-22(2,3)28-21(25)24-10-11-27-14-15(24)12-18-17-9-8-16(26-4)13-19(17)23-20(18)29(5,6)7/h8-9,13,15,23H,10-12,14H2,1-7H3/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate has a molecular weight of 418.61 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 90817567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).