2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid

C16H20N2O6 — CID 155390785

About 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid

2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid (PubChem CID 155390785) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid.

Molecular Properties

• Compound Name: 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid
• PubChem CID: 155390785
• Molecular Formula: C16H20N2O6
• Molecular Weight: 336.34 g/mol
• Exact Mass: 336.13
• IUPAC Name: 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid
• SMILES: CC(C)(C)OC(=O)N1CCCc2nc(C(C(=O)O)C(=O)O)ccc21
• InChI: InChI=1S/C16H20N2O6/c1-16(2,3)24-15(23)18-8-4-5-9-11(18)7-6-10(17-9)12(13(19)20)14(21)22/h6-7,12H,4-5,8H2,1-3H3,(H,19,20)(H,21,22)
• InChIKey: BYKBFHMBZLQBIV-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 117.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.34
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid?

The IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid (CID 155390785) is 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid.

What is the SMILES notation for 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid?

The canonical SMILES for 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid is CC(C)(C)OC(=O)N1CCCc2nc(C(C(=O)O)C(=O)O)ccc21.

What is the InChIKey of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid?

The InChIKey is BYKBFHMBZLQBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-16(2,3)24-15(23)18-8-4-5-9-11(18)7-6-10(17-9)12(13(19)20)14(21)22/h6-7,12H,4-5,8H2,1-3H3,(H,19,20)(H,21,22).

What are the key properties of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid?

2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid has a molecular weight of 336.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid is sourced from PubChem (CID 155390785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).