2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid

C17H28N4O12 — CID 10206046

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid (PubChem CID 10206046) has the molecular formula C17H28N4O12 and a molecular weight of 480.43 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
• PubChem CID: 10206046
• Molecular Formula: C17H28N4O12
• Molecular Weight: 480.43 g/mol
• Exact Mass: 480.17
• IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
• SMILES: O=C(O)CN(CCN(CCN(CC(=O)O)C(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C17H28N4O12/c22-12(23)7-18(3-4-20(9-14(26)27)10-15(28)29)1-2-19(8-13(24)25)5-6-21(17(32)33)11-16(30)31/h1-11H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
• InChIKey: DYEQXYZGODZLMM-UHFFFAOYSA-N
• XLogP: -2.70
• TPSA: 236.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.43
LogP ≤ 5	-2.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid?

The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid (CID 10206046) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid.

What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid?

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

What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid?

The InChIKey is DYEQXYZGODZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O12/c22-12(23)7-18(3-4-20(9-14(26)27)10-15(28)29)1-2-19(8-13(24)25)5-6-21(17(32)33)11-16(30)31/h1-11H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33).

What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid?

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid has a molecular weight of 480.43 g/mol, XLogP of -2.70, 19 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 10206046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).