ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

C20H27FN2O4 — CID 69415486

About ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (PubChem CID 69415486) has the molecular formula C20H27FN2O4 and a molecular weight of 378.44 g/mol. Its IUPAC name is ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
• PubChem CID: 69415486
• Molecular Formula: C20H27FN2O4
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.20
• IUPAC Name: ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
• SMILES: CCOC(=O)c1cc2ccc(F)c(C)c2n1[C@H](C)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C20H27FN2O4/c1-7-26-18(24)16-10-14-8-9-15(21)13(3)17(14)23(16)12(2)11-22-19(25)27-20(4,5)6/h8-10,12H,7,11H2,1-6H3,(H,22,25)/t12-/m1/s1
• InChIKey: MWMVPKZJEBCEFZ-GFCCVEGCSA-N
• XLogP: 4.35
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The IUPAC name of ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (CID 69415486) is ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

What is the SMILES notation for ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The canonical SMILES for ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is CCOC(=O)c1cc2ccc(F)c(C)c2n1[C@H](C)CNC(=O)OC(C)(C)C.

What is the InChIKey of ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The InChIKey is MWMVPKZJEBCEFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H27FN2O4/c1-7-26-18(24)16-10-14-8-9-15(21)13(3)17(14)23(16)12(2)11-22-19(25)27-20(4,5)6/h8-10,12H,7,11H2,1-6H3,(H,22,25)/t12-/m1/s1.

What are the key properties of ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate has a molecular weight of 378.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is sourced from PubChem (CID 69415486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).