4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

C24H32N10O7 — CID 130276119

About 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 130276119) has the molecular formula C24H32N10O7 and a molecular weight of 572.58 g/mol. Its IUPAC name is 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
• PubChem CID: 130276119
• Molecular Formula: C24H32N10O7
• Molecular Weight: 572.58 g/mol
• Exact Mass: 572.25
• IUPAC Name: 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
• SMILES: CC(C)C(NC(=O)CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1
• InChI: InChI=1S/C24H32N10O7/c1-12(2)20(29-18(36)7-8-19(37)38)23(40)28-14(5-6-16(25)35)24(41)34-15(10-13-4-3-9-26-21(13)34)22(39)27-11-17-30-32-33-31-17/h3-4,9,12,14-15,20H,5-8,10-11H2,1-2H3,(H2,25,35)(H,27,39)(H,28,40)(H,29,36)(H,37,38)(H,30,31,32,33)
• InChIKey: DPUBMXVUJCRTGT-UHFFFAOYSA-N
• XLogP: -2.08
• TPSA: 255.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.58
LogP ≤ 5	-2.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?

The IUPAC name of 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (CID 130276119) is 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.

What is the SMILES notation for 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?

The canonical SMILES for 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid is CC(C)C(NC(=O)CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)N1c2ncccc2CC1C(=O)NCc1nn[nH]n1.

What is the InChIKey of 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?

The InChIKey is DPUBMXVUJCRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N10O7/c1-12(2)20(29-18(36)7-8-19(37)38)23(40)28-14(5-6-16(25)35)24(41)34-15(10-13-4-3-9-26-21(13)34)22(39)27-11-17-30-32-33-31-17/h3-4,9,12,14-15,20H,5-8,10-11H2,1-2H3,(H2,25,35)(H,27,39)(H,28,40)(H,29,36)(H,37,38)(H,30,31,32,33).

What are the key properties of 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?

4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 572.58 g/mol, XLogP of -2.08, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[[5-amino-1,5-dioxo-1-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 130276119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).