2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid

C20H31N3O11 — CID 69442117

About 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid

2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 69442117) has the molecular formula C20H31N3O11 and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid
• PubChem CID: 69442117
• Molecular Formula: C20H31N3O11
• Molecular Weight: 489.48 g/mol
• Exact Mass: 489.20
• IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid
• SMILES: C=CN1CCC(=O)C1C(COCCN(CC(=O)O)CC(=O)O)OCCN(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C20H31N3O11/c1-2-23-4-3-14(24)20(23)15(34-8-6-22(11-18(29)30)12-19(31)32)13-33-7-5-21(9-16(25)26)10-17(27)28/h2,15,20H,1,3-13H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
• InChIKey: WVDVMWRZYKQCOZ-UHFFFAOYSA-N
• XLogP: -1.88
• TPSA: 194.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.48
LogP ≤ 5	-1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

The IUPAC name of 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid (CID 69442117) is 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

What is the SMILES notation for 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

The canonical SMILES for 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid is C=CN1CCC(=O)C1C(COCCN(CC(=O)O)CC(=O)O)OCCN(CC(=O)O)CC(=O)O.

What is the InChIKey of 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

The InChIKey is WVDVMWRZYKQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O11/c1-2-23-4-3-14(24)20(23)15(34-8-6-22(11-18(29)30)12-19(31)32)13-33-7-5-21(9-16(25)26)10-17(27)28/h2,15,20H,1,3-13H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32).

What are the key properties of 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 489.48 g/mol, XLogP of -1.88, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]-2-(1-ethenyl-3-oxopyrrolidin-2-yl)ethoxy]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 69442117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).