5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid

C23H24N8O5 — CID 130276711

About 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid

5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid (PubChem CID 130276711) has the molecular formula C23H24N8O5 and a molecular weight of 492.50 g/mol. Its IUPAC name is 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid.

Molecular Properties

• Compound Name: 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
• PubChem CID: 130276711
• Molecular Formula: C23H24N8O5
• Molecular Weight: 492.50 g/mol
• Exact Mass: 492.19
• IUPAC Name: 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
• SMILES: O=C(O)CCC(NC(=O)Cc1ccccc1)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1
• InChI: InChI=1S/C23H24N8O5/c32-19(11-14-5-2-1-3-6-14)26-16(8-9-20(33)34)23(36)31-17(12-15-7-4-10-24-21(15)31)22(35)25-13-18-27-29-30-28-18/h1-7,10,16-17H,8-9,11-13H2,(H,25,35)(H,26,32)(H,33,34)(H,27,28,29,30)
• InChIKey: MQNBLERFYLCJFD-UHFFFAOYSA-N
• XLogP: -0.24
• TPSA: 183.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.50
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?

The IUPAC name of 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid (CID 130276711) is 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid.

What is the SMILES notation for 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?

The canonical SMILES for 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid is O=C(O)CCC(NC(=O)Cc1ccccc1)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1.

What is the InChIKey of 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?

The InChIKey is MQNBLERFYLCJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O5/c32-19(11-14-5-2-1-3-6-14)26-16(8-9-20(33)34)23(36)31-17(12-15-7-4-10-24-21(15)31)22(35)25-13-18-27-29-30-28-18/h1-7,10,16-17H,8-9,11-13H2,(H,25,35)(H,26,32)(H,33,34)(H,27,28,29,30).

What are the key properties of 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid?

5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid has a molecular weight of 492.50 g/mol, XLogP of -0.24, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid is sourced from PubChem (CID 130276711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).