2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid

C48H54N4O14 — CID 24738804

About 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid

2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid (PubChem CID 24738804) has the molecular formula C48H54N4O14 and a molecular weight of 910.97 g/mol. Its IUPAC name is 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid.

Molecular Properties

• Compound Name: 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid
• PubChem CID: 24738804
• Molecular Formula: C48H54N4O14
• Molecular Weight: 910.97 g/mol
• Exact Mass: 910.36
• IUPAC Name: 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid
• SMILES: Cc1c(C(=O)c2ccc(N)c(C(=O)O)c2)c2ccccn2c1OCCOCCOCCOCCOCCOCCOCCOc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)c2ccccn12
• InChI: InChI=1S/C48H54N4O14/c1-31-41(43(53)33-9-11-37(49)35(29-33)47(55)56)39-7-3-5-13-51(39)45(31)65-27-25-63-23-21-61-19-17-59-15-16-60-18-20-62-22-24-64-26-28-66-46-32(2)42(40-8-4-6-14-52(40)46)44(54)34-10-12-38(50)36(30-34)48(57)58/h3-14,29-30H,15-28,49-50H2,1-2H3,(H,55,56)(H,57,58)
• InChIKey: VPKBLQNOPSTQDQ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 243.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.97
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid?

The IUPAC name of 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid (CID 24738804) is 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid.

What is the SMILES notation for 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid?

The canonical SMILES for 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid is Cc1c(C(=O)c2ccc(N)c(C(=O)O)c2)c2ccccn2c1OCCOCCOCCOCCOCCOCCOCCOc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)c2ccccn12.

What is the InChIKey of 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid?

The InChIKey is VPKBLQNOPSTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N4O14/c1-31-41(43(53)33-9-11-37(49)35(29-33)47(55)56)39-7-3-5-13-51(39)45(31)65-27-25-63-23-21-61-19-17-59-15-16-60-18-20-62-22-24-64-26-28-66-46-32(2)42(40-8-4-6-14-52(40)46)44(54)34-10-12-38(50)36(30-34)48(57)58/h3-14,29-30H,15-28,49-50H2,1-2H3,(H,55,56)(H,57,58).

What are the key properties of 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid?

2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid has a molecular weight of 910.97 g/mol, XLogP of 5.39, 29 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-[2-[2-[2-[2-[2-[2-[2-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylindolizine-1-carbonyl]benzoic acid is sourced from PubChem (CID 24738804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).