tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate

C28H40N2O3Si — CID 25257959

IUPACtert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc([C@H](N)c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C28H40N2O3Si/c1-27(2,3)33-26(31)30-19-23(22-15-11-12-16-24(22)30)25(29)21-14-10-9-13-20(21)17-18-32-34(7,8)28(4,5)6/h9-16,19,25H,17-18,29H2,1-8H3/t25-/m1/s1
InChIKeyWRDJSENAYPLGNC-RUZDIDTESA-N
MW480.73 g/mol
LogP7.04
Rot. Bonds6

About tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate

tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate (PubChem CID 25257959) has the molecular formula C28H40N2O3Si and a molecular weight of 480.73 g/mol. Its IUPAC name is tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate
PubChem CID25257959
Molecular FormulaC28H40N2O3Si
Molecular Weight480.73 g/mol
Exact Mass480.28
IUPAC Nametert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc([C@H](N)c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C28H40N2O3Si/c1-27(2,3)33-26(31)30-19-23(22-15-11-12-16-24(22)30)25(29)21-14-10-9-13-20(21)17-18-32-34(7,8)28(4,5)6/h9-16,19,25H,17-18,29H2,1-8H3/t25-/m1/s1
InChIKeyWRDJSENAYPLGNC-RUZDIDTESA-N
XLogP7.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate
CID 25257746
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl]indole-1-carboxylate
CID 171397275
tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate
CID 135013234
dimethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanedioate
CID 102052220
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]indole-1-carboxylate
CID 155637501
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]butanoic acid
CID 24720875
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
CID 138971903
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate (CID 25257959) is tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1cc([C@H](N)c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate?
The InChIKey is WRDJSENAYPLGNC-RUZDIDTESA-N. The full InChI is InChI=1S/C28H40N2O3Si/c1-27(2,3)33-26(31)30-19-23(22-15-11-12-16-24(22)30)25(29)21-14-10-9-13-20(21)17-18-32-34(7,8)28(4,5)6/h9-16,19,25H,17-18,29H2,1-8H3/t25-/m1/s1.
What are the key properties of tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate?
tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate has a molecular weight of 480.73 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate is sourced from PubChem (CID 25257959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).