5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid

C35H63N5O13 — CID 167005517

About 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid

5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid (PubChem CID 167005517) has the molecular formula C35H63N5O13 and a molecular weight of 761.91 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 167005517
• Molecular Formula: C35H63N5O13
• Molecular Weight: 761.91 g/mol
• Exact Mass: 761.44
• IUPAC Name: 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid
• SMILES: NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)NCC(=O)O)C(=O)O
• InChI: InChI=1S/C35H63N5O13/c36-29(41)26-52-23-21-51-20-18-38-33(45)27-53-24-22-50-19-17-37-31(43)16-15-28(35(48)49)40-32(44)14-12-10-8-6-4-2-1-3-5-7-9-11-13-30(42)39-25-34(46)47/h28H,1-27H2,(H2,36,41)(H,37,43)(H,38,45)(H,39,42)(H,40,44)(H,46,47)(H,48,49)
• InChIKey: NHHIGLXJIMTTIL-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 271.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 38
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.91
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	7
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 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid (CID 167005517) is 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid is NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)NCC(=O)O)C(=O)O.

What is the InChIKey of 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid?

The InChIKey is NHHIGLXJIMTTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H63N5O13/c36-29(41)26-52-23-21-51-20-18-38-33(45)27-53-24-22-50-19-17-37-31(43)16-15-28(35(48)49)40-32(44)14-12-10-8-6-4-2-1-3-5-7-9-11-13-30(42)39-25-34(46)47/h28H,1-27H2,(H2,36,41)(H,37,43)(H,38,45)(H,39,42)(H,40,44)(H,46,47)(H,48,49).

What are the key properties of 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid?

5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid has a molecular weight of 761.91 g/mol, XLogP of 0.78, 38 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-[[16-(carboxymethylamino)-16-oxohexadecanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 167005517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).