(2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C30H30N2O5 — CID 11113821

About (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11113821) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

• Compound Name: (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• PubChem CID: 11113821
• Molecular Formula: C30H30N2O5
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.22
• IUPAC Name: (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H30N2O5/c1-30(2,3)37-29(35)32-25(18-22-19-31-24-17-11-10-16-23(22)24)28(34)36-27(21-14-8-5-9-15-21)26(33)20-12-6-4-7-13-20/h4-17,19,25,27,31H,18H2,1-3H3,(H,32,35)/t25-,27?/m1/s1
• InChIKey: CBWVYWYKHYCQPU-CSMDKSQMSA-N
• XLogP: 5.77
• TPSA: 97.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The IUPAC name of (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11113821) is (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

What is the SMILES notation for (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The canonical SMILES for (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C(=O)c1ccccc1)c1ccccc1.

What is the InChIKey of (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The InChIKey is CBWVYWYKHYCQPU-CSMDKSQMSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-30(2,3)37-29(35)32-25(18-22-19-31-24-17-11-10-16-23(22)24)28(34)36-27(21-14-8-5-9-15-21)26(33)20-12-6-4-7-13-20/h4-17,19,25,27,31H,18H2,1-3H3,(H,32,35)/t25-,27?/m1/s1.

What are the key properties of (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

(2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 498.58 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxo-1,2-diphenylethyl) (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11113821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).