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

C20H26N2O5 — CID 11326301

IUPACtert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C20H26N2O5/c1-19(2,3)26-17(24)21-11-16(23)14-12-22(18(25)27-20(4,5)6)15-10-8-7-9-13(14)15/h7-10,12H,11H2,1-6H3,(H,21,24)
InChIKeyVVTYXSKOMWCUIK-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds3

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

tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate (PubChem CID 11326301) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate
PubChem CID11326301
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nametert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C20H26N2O5/c1-19(2,3)26-17(24)21-11-16(23)14-12-22(18(25)27-20(4,5)6)15-10-8-7-9-13(14)15/h7-10,12H,11H2,1-6H3,(H,21,24)
InChIKeyVVTYXSKOMWCUIK-UHFFFAOYSA-N
XLogP4.13
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate (CID 11326301) is tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate is CC(C)(C)OC(=O)NCC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate?
The InChIKey is VVTYXSKOMWCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-19(2,3)26-17(24)21-11-16(23)14-12-22(18(25)27-20(4,5)6)15-10-8-7-9-13(14)15/h7-10,12H,11H2,1-6H3,(H,21,24).
What are the key properties of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate?
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate is sourced from PubChem (CID 11326301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).