sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride

C15H29N2NaO11 — CID 173065893

About sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride

sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride (PubChem CID 173065893) has the molecular formula C15H29N2NaO11 and a molecular weight of 436.39 g/mol. Its IUPAC name is sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride.

Molecular Properties

• Compound Name: sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride
• PubChem CID: 173065893
• Molecular Formula: C15H29N2NaO11
• Molecular Weight: 436.39 g/mol
• Exact Mass: 436.17
• IUPAC Name: sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride
• SMILES: CCO.O=C(O)CN(CCN(CC(=O)O)CC(=O)OCC(O)CO)CC(=O)O.[H-].[Na+]
• InChI: InChI=1S/C13H22N2O10.C2H6O.Na.H/c16-7-9(17)8-25-13(24)6-15(5-12(22)23)2-1-14(3-10(18)19)4-11(20)21;1-2-3;;/h9,16-17H,1-8H2,(H,18,19)(H,20,21)(H,22,23);3H,2H2,1H3;;/q;;+1;-1
• InChIKey: JNCWINCONDDFHH-UHFFFAOYSA-N
• XLogP: -6.14
• TPSA: 205.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.39
LogP ≤ 5	-6.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride?

The IUPAC name of sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride (CID 173065893) is sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride.

What is the SMILES notation for sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride?

The canonical SMILES for sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride is CCO.O=C(O)CN(CCN(CC(=O)O)CC(=O)OCC(O)CO)CC(=O)O.[H-].[Na+].

What is the InChIKey of sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride?

The InChIKey is JNCWINCONDDFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O10.C2H6O.Na.H/c16-7-9(17)8-25-13(24)6-15(5-12(22)23)2-1-14(3-10(18)19)4-11(20)21;1-2-3;;/h9,16-17H,1-8H2,(H,18,19)(H,20,21)(H,22,23);3H,2H2,1H3;;/q;;+1;-1.

What are the key properties of sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride?

sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride has a molecular weight of 436.39 g/mol, XLogP of -6.14, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[carboxymethyl-[2-[carboxymethyl-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid;ethanol;hydride is sourced from PubChem (CID 173065893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).