tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate

C18H24N2O5 — CID 167467790

IUPACtert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cn(C(=O)OC(C)(C)C)c2ccc(O)cc12
InChIInChI=1S/C18H24N2O5/c1-17(2,3)24-15(22)19-13-10-20(16(23)25-18(4,5)6)14-8-7-11(21)9-12(13)14/h7-10,21H,1-6H3,(H,19,22)
InChIKeyUHQLXFVWMGEEGU-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.48
Rot. Bonds1

About tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate

tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate (PubChem CID 167467790) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate
PubChem CID167467790
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cn(C(=O)OC(C)(C)C)c2ccc(O)cc12
InChIInChI=1S/C18H24N2O5/c1-17(2,3)24-15(22)19-13-10-20(16(23)25-18(4,5)6)14-8-7-11(21)9-12(13)14/h7-10,21H,1-6H3,(H,19,22)
InChIKeyUHQLXFVWMGEEGU-UHFFFAOYSA-N
XLogP4.48
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate?
The IUPAC name of tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate (CID 167467790) is tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate is CC(C)(C)OC(=O)Nc1cn(C(=O)OC(C)(C)C)c2ccc(O)cc12.
What is the InChIKey of tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate?
The InChIKey is UHQLXFVWMGEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-17(2,3)24-15(22)19-13-10-20(16(23)25-18(4,5)6)14-8-7-11(21)9-12(13)14/h7-10,21H,1-6H3,(H,19,22).
What are the key properties of tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate?
tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]indole-1-carboxylate is sourced from PubChem (CID 167467790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).