2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid

C31H59N5O10 — CID 123578734

About 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid

2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid (PubChem CID 123578734) has the molecular formula C31H59N5O10 and a molecular weight of 661.84 g/mol. Its IUPAC name is 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid.

Molecular Properties

• Compound Name: 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid
• PubChem CID: 123578734
• Molecular Formula: C31H59N5O10
• Molecular Weight: 661.84 g/mol
• Exact Mass: 661.43
• IUPAC Name: 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid
• SMILES: CCCC(C)C(=O)C(CCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(N)C(=O)O)NC
• InChI: InChI=1S/C31H59N5O10/c1-4-9-24(2)30(40)26(33-3)11-6-5-7-13-34-28(38)22-45-20-19-44-17-15-36-29(39)23-46-21-18-43-16-14-35-27(37)12-8-10-25(32)31(41)42/h24-26,33H,4-23,32H2,1-3H3,(H,34,38)(H,35,37)(H,36,39)(H,41,42)
• InChIKey: WRRKOEOQLPNUKO-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 216.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	661.84
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	6
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-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid?

The IUPAC name of 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid (CID 123578734) is 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid.

What is the SMILES notation for 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid?

The canonical SMILES for 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid is CCCC(C)C(=O)C(CCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(N)C(=O)O)NC.

What is the InChIKey of 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid?

The InChIKey is WRRKOEOQLPNUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N5O10/c1-4-9-24(2)30(40)26(33-3)11-6-5-7-13-34-28(38)22-45-20-19-44-17-15-36-29(39)23-46-21-18-43-16-14-35-27(37)12-8-10-25(32)31(41)42/h24-26,33H,4-23,32H2,1-3H3,(H,34,38)(H,35,37)(H,36,39)(H,41,42).

What are the key properties of 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid?

2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid has a molecular weight of 661.84 g/mol, XLogP of 0.14, 32 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[2-[2-[2-[2-[2-[2-[[8-methyl-6-(methylamino)-7-oxoundecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid is sourced from PubChem (CID 123578734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).