6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid

C23H46N8O6 — CID 147724727

About 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid

6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid (PubChem CID 147724727) has the molecular formula C23H46N8O6 and a molecular weight of 530.67 g/mol. Its IUPAC name is 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid
• PubChem CID: 147724727
• Molecular Formula: C23H46N8O6
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.35
• IUPAC Name: 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid
• SMILES: CNC(=O)CNCCN(CCN(CCNCC(=O)NC)CC(=O)NCCCCCC(=O)O)CC(=O)NC
• InChI: InChI=1S/C23H46N8O6/c1-24-19(32)15-27-9-11-30(17-21(34)26-3)13-14-31(12-10-28-16-20(33)25-2)18-22(35)29-8-6-4-5-7-23(36)37/h27-28H,4-18H2,1-3H3,(H,24,32)(H,25,33)(H,26,34)(H,29,35)(H,36,37)
• InChIKey: GXGMLTPBZLRCSK-UHFFFAOYSA-N
• XLogP: -3.23
• TPSA: 184.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	-3.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid?

The IUPAC name of 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid (CID 147724727) is 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid.

What is the SMILES notation for 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid?

The canonical SMILES for 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid is CNC(=O)CNCCN(CCN(CCNCC(=O)NC)CC(=O)NCCCCCC(=O)O)CC(=O)NC.

What is the InChIKey of 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid?

The InChIKey is GXGMLTPBZLRCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N8O6/c1-24-19(32)15-27-9-11-30(17-21(34)26-3)13-14-31(12-10-28-16-20(33)25-2)18-22(35)29-8-6-4-5-7-23(36)37/h27-28H,4-18H2,1-3H3,(H,24,32)(H,25,33)(H,26,34)(H,29,35)(H,36,37).

What are the key properties of 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid?

6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid has a molecular weight of 530.67 g/mol, XLogP of -3.23, 23 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 147724727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).