ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

C20H27ClN2O4 — CID 69415607

About ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (PubChem CID 69415607) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
• PubChem CID: 69415607
• Molecular Formula: C20H27ClN2O4
• Molecular Weight: 394.90 g/mol
• Exact Mass: 394.17
• IUPAC Name: ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
• SMILES: CCOC(=O)c1cc2cc(C)cc(Cl)c2n1[C@H](C)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C20H27ClN2O4/c1-7-26-18(24)16-10-14-8-12(2)9-15(21)17(14)23(16)13(3)11-22-19(25)27-20(4,5)6/h8-10,13H,7,11H2,1-6H3,(H,22,25)/t13-/m1/s1
• InChIKey: LROVGXRQNHHZPC-CYBMUJFWSA-N
• XLogP: 4.87
• 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	394.90
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The IUPAC name of ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (CID 69415607) is ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

What is the SMILES notation for ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The canonical SMILES for ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is CCOC(=O)c1cc2cc(C)cc(Cl)c2n1[C@H](C)CNC(=O)OC(C)(C)C.

What is the InChIKey of ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

The InChIKey is LROVGXRQNHHZPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-7-26-18(24)16-10-14-8-12(2)9-15(21)17(14)23(16)13(3)11-22-19(25)27-20(4,5)6/h8-10,13H,7,11H2,1-6H3,(H,22,25)/t13-/m1/s1.

What are the key properties of ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?

ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate has a molecular weight of 394.90 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is sourced from PubChem (CID 69415607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).