sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate

C10H17N2NaO7 — CID 71301162

IUPACsodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CCN(CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C10H18N2O7.Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyAYTRWTSAEIAWNJ-UHFFFAOYSA-M
MW300.24 g/mol
LogP-6.49
Rot. Bonds11

About sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate

sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate (PubChem CID 71301162) has the molecular formula C10H17N2NaO7 and a molecular weight of 300.24 g/mol. Its IUPAC name is sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
PubChem CID71301162
Molecular FormulaC10H17N2NaO7
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Namesodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CCN(CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C10H18N2O7.Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyAYTRWTSAEIAWNJ-UHFFFAOYSA-M
XLogP-6.49
TPSA141.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 5-6.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The IUPAC name of sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate (CID 71301162) is sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The canonical SMILES for sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate is O=C([O-])CN(CCO)CCN(CC(=O)O)CC(=O)O.[Na+].
What is the InChIKey of sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The InChIKey is AYTRWTSAEIAWNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2O7.Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate has a molecular weight of 300.24 g/mol, XLogP of -6.49, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 71301162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).