2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid

C38H51N9O9 — CID 155485166

About 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid

2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid (PubChem CID 155485166) has the molecular formula C38H51N9O9 and a molecular weight of 777.88 g/mol. Its IUPAC name is 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid
• PubChem CID: 155485166
• Molecular Formula: C38H51N9O9
• Molecular Weight: 777.88 g/mol
• Exact Mass: 777.38
• IUPAC Name: 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid
• SMILES: CC(=O)NC(C(=O)O)C1(O)CN(C(=O)NCCCc2ccc3c(n2)NC(C2CCc4ccc(C5CCN(C(=O)N6CC(O)(CC(=O)O)C6)CC5)nc4N2)CC3)C1
• InChI: InChI=1S/C38H51N9O9/c1-22(48)40-31(34(51)52)38(56)20-46(21-38)35(53)39-14-2-3-26-8-4-24-6-10-28(43-32(24)41-26)29-11-7-25-5-9-27(42-33(25)44-29)23-12-15-45(16-13-23)36(54)47-18-37(55,19-47)17-30(49)50/h4-5,8-9,23,28-29,31,55-56H,2-3,6-7,10-21H2,1H3,(H,39,53)(H,40,48)(H,41,43)(H,42,44)(H,49,50)(H,51,52)
• InChIKey: LIUJOTCGWGQULG-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 249.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	777.88
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid?

The IUPAC name of 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid (CID 155485166) is 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid.

What is the SMILES notation for 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid?

The canonical SMILES for 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid is CC(=O)NC(C(=O)O)C1(O)CN(C(=O)NCCCc2ccc3c(n2)NC(C2CCc4ccc(C5CCN(C(=O)N6CC(O)(CC(=O)O)C6)CC5)nc4N2)CC3)C1.

What is the InChIKey of 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid?

The InChIKey is LIUJOTCGWGQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N9O9/c1-22(48)40-31(34(51)52)38(56)20-46(21-38)35(53)39-14-2-3-26-8-4-24-6-10-28(43-32(24)41-26)29-11-7-25-5-9-27(42-33(25)44-29)23-12-15-45(16-13-23)36(54)47-18-37(55,19-47)17-30(49)50/h4-5,8-9,23,28-29,31,55-56H,2-3,6-7,10-21H2,1H3,(H,39,53)(H,40,48)(H,41,43)(H,42,44)(H,49,50)(H,51,52).

What are the key properties of 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid?

2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid has a molecular weight of 777.88 g/mol, XLogP of 0.73, 11 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-2-[1-[3-[7-[7-[1-[3-(carboxymethyl)-3-hydroxyazetidine-1-carbonyl]piperidin-4-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propylcarbamoyl]-3-hydroxyazetidin-3-yl]acetic acid is sourced from PubChem (CID 155485166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).