(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid

C49H87NO15 — CID 158500711

About (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid

(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid (PubChem CID 158500711) has the molecular formula C49H87NO15 and a molecular weight of 930.23 g/mol. Its IUPAC name is (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid.

Molecular Properties

• Compound Name: (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid
• PubChem CID: 158500711
• Molecular Formula: C49H87NO15
• Molecular Weight: 930.23 g/mol
• Exact Mass: 929.61
• IUPAC Name: (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid
• SMILES: CC(C)C(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O
• InChI: InChI=1S/C49H87NO15/c1-41(2)46(54)39-64-35-33-62-30-27-50-47(55)40-65-36-32-61-29-20-23-45(53)38-63-34-31-60-28-19-22-43(51)26-25-42(49(58)59)37-44(52)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24-48(56)57/h41-42H,3-40H2,1-2H3,(H,50,55)(H,56,57)(H,58,59)/t42-/m1/s1
• InChIKey: IPYPRAXLNOBIKA-HUESYALOSA-N
• XLogP: 7.67
• TPSA: 227.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 52
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.23
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid?

The IUPAC name of (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid (CID 158500711) is (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid.

What is the SMILES notation for (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid?

The canonical SMILES for (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid is CC(C)C(=O)COCCOCCNC(=O)COCCOCCCC(=O)COCCOCCCC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.

What is the InChIKey of (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid?

The InChIKey is IPYPRAXLNOBIKA-HUESYALOSA-N. The full InChI is InChI=1S/C49H87NO15/c1-41(2)46(54)39-64-35-33-62-30-27-50-47(55)40-65-36-32-61-29-20-23-45(53)38-63-34-31-60-28-19-22-43(51)26-25-42(49(58)59)37-44(52)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24-48(56)57/h41-42H,3-40H2,1-2H3,(H,50,55)(H,56,57)(H,58,59)/t42-/m1/s1.

What are the key properties of (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid?

(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid has a molecular weight of 930.23 g/mol, XLogP of 7.67, 52 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid is sourced from PubChem (CID 158500711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).