ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

C20H28N2O4 — CID 69416886

About ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (PubChem CID 69416886) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
• PubChem CID: 69416886
• Molecular Formula: C20H28N2O4
• Molecular Weight: 360.45 g/mol
• Exact Mass: 360.20
• IUPAC Name: ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
• SMILES: CCOC(=O)c1cc2cc(C)ccc2n1[C@H](C)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C20H28N2O4/c1-7-25-18(23)17-11-15-10-13(2)8-9-16(15)22(17)14(3)12-21-19(24)26-20(4,5)6/h8-11,14H,7,12H2,1-6H3,(H,21,24)/t14-/m1/s1
• InChIKey: QHMRETDVOPIVAM-CQSZACIVSA-N
• XLogP: 4.21
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.45
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The IUPAC name of ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (CID 69416886) is ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

What is the SMILES notation for ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The canonical SMILES for ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is CCOC(=O)c1cc2cc(C)ccc2n1[C@H](C)CNC(=O)OC(C)(C)C.

What is the InChIKey of ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The InChIKey is QHMRETDVOPIVAM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-7-25-18(23)17-11-15-10-13(2)8-9-16(15)22(17)14(3)12-21-19(24)26-20(4,5)6/h8-11,14H,7,12H2,1-6H3,(H,21,24)/t14-/m1/s1.

What are the key properties of ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is sourced from PubChem (CID 69416886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).