disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol

C13H26N2Na2O11 — CID 173081220

About disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol

disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol (PubChem CID 173081220) has the molecular formula C13H26N2Na2O11 and a molecular weight of 432.33 g/mol. Its IUPAC name is disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol.

Molecular Properties

• Compound Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol
• PubChem CID: 173081220
• Molecular Formula: C13H26N2Na2O11
• Molecular Weight: 432.33 g/mol
• Exact Mass: 432.13
• IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol
• SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.OCC(O)CO.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.C3H8O3.2Na.2H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;4-1-3(6)2-5;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3-6H,1-2H2;;;;/q;;2*+1;2*-1
• InChIKey: ZQGCSQZRBGWZIU-UHFFFAOYSA-N
• XLogP: -9.51
• TPSA: 216.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.33
LogP ≤ 5	-9.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol?

The IUPAC name of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol (CID 173081220) is disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol.

What is the SMILES notation for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol?

The canonical SMILES for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.OCC(O)CO.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol?

The InChIKey is ZQGCSQZRBGWZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.C3H8O3.2Na.2H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;4-1-3(6)2-5;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3-6H,1-2H2;;;;/q;;2*+1;2*-1.

What are the key properties of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol?

disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol has a molecular weight of 432.33 g/mol, XLogP of -9.51, 13 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;propane-1,2,3-triol is sourced from PubChem (CID 173081220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).