2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid

C19H28N2O4 — CID 170881630

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid (PubChem CID 170881630) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid.

Molecular Properties

• Compound Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid
• PubChem CID: 170881630
• Molecular Formula: C19H28N2O4
• Molecular Weight: 348.44 g/mol
• Exact Mass: 348.20
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid
• SMILES: CCCN1CCc2cc(CC(NC(=O)OC(C)(C)C)C(=O)O)ccc21
• InChI: InChI=1S/C19H28N2O4/c1-5-9-21-10-8-14-11-13(6-7-16(14)21)12-15(17(22)23)20-18(24)25-19(2,3)4/h6-7,11,15H,5,8-10,12H2,1-4H3,(H,20,24)(H,22,23)
• InChIKey: ZAWBARNVPQVGLB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.44
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid?

The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid (CID 170881630) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid.

What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid?

The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid is CCCN1CCc2cc(CC(NC(=O)OC(C)(C)C)C(=O)O)ccc21.

What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid?

The InChIKey is ZAWBARNVPQVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-9-21-10-8-14-11-13(6-7-16(14)21)12-15(17(22)23)20-18(24)25-19(2,3)4/h6-7,11,15H,5,8-10,12H2,1-4H3,(H,20,24)(H,22,23).

What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid?

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid is sourced from PubChem (CID 170881630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).