5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid

C23H26N4O5 — CID 73134215

About 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid

5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid (PubChem CID 73134215) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid.

Molecular Properties

• Compound Name: 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid
• PubChem CID: 73134215
• Molecular Formula: C23H26N4O5
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.19
• IUPAC Name: 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid
• SMILES: O=C(O)CCCC(=O)N1CC2CC(C1)c1ccc(NC(=O)Nc3ccccc3)c(=O)n1C2
• InChI: InChI=1S/C23H26N4O5/c28-20(7-4-8-21(29)30)26-12-15-11-16(14-26)19-10-9-18(22(31)27(19)13-15)25-23(32)24-17-5-2-1-3-6-17/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2,(H,29,30)(H2,24,25,32)
• InChIKey: ONTHCFDGJPVUMH-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 120.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid?

The IUPAC name of 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid (CID 73134215) is 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid.

What is the SMILES notation for 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid?

The canonical SMILES for 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid is O=C(O)CCCC(=O)N1CC2CC(C1)c1ccc(NC(=O)Nc3ccccc3)c(=O)n1C2.

What is the InChIKey of 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid?

The InChIKey is ONTHCFDGJPVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c28-20(7-4-8-21(29)30)26-12-15-11-16(14-26)19-10-9-18(22(31)27(19)13-15)25-23(32)24-17-5-2-1-3-6-17/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2,(H,29,30)(H2,24,25,32).

What are the key properties of 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid?

5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid has a molecular weight of 438.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-5-[6-oxo-5-(phenylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid is sourced from PubChem (CID 73134215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).