2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid

C26H48N6O12 — CID 89339466

About 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid

2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 89339466) has the molecular formula C26H48N6O12 and a molecular weight of 636.70 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid
• PubChem CID: 89339466
• Molecular Formula: C26H48N6O12
• Molecular Weight: 636.70 g/mol
• Exact Mass: 636.33
• IUPAC Name: 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid
• SMILES: CN(CCN(C)CC(=O)OCCOC(=O)CN(C)CCN(C)CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C26H48N6O12/c1-27(9-11-31(15-21(33)34)16-22(35)36)5-7-29(3)19-25(41)43-13-14-44-26(42)20-30(4)8-6-28(2)10-12-32(17-23(37)38)18-24(39)40/h5-20H2,1-4H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)
• InChIKey: UIYKRYNMHGOHTC-UHFFFAOYSA-N
• XLogP: -3.26
• TPSA: 221.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.70
LogP ≤ 5	-3.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid?

The IUPAC name of 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid (CID 89339466) is 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid.

What is the SMILES notation for 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid?

The canonical SMILES for 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid is CN(CCN(C)CC(=O)OCCOC(=O)CN(C)CCN(C)CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.

What is the InChIKey of 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid?

The InChIKey is UIYKRYNMHGOHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N6O12/c1-27(9-11-31(15-21(33)34)16-22(35)36)5-7-29(3)19-25(41)43-13-14-44-26(42)20-30(4)8-6-28(2)10-12-32(17-23(37)38)18-24(39)40/h5-20H2,1-4H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40).

What are the key properties of 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid?

2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 636.70 g/mol, XLogP of -3.26, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 89339466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).