2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid

C10H18N2O7 — CID 21217227

IUPAC2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid
SMILESO=C(O)CNCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O7/c13-8(14)5-11-1-3-19-4-2-12(6-9(15)16)7-10(17)18/h11H,1-7H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyMYQOESHEIISUMC-UHFFFAOYSA-N
MW278.26 g/mol
LogP-1.85
Rot. Bonds12

About 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid

2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid (PubChem CID 21217227) has the molecular formula C10H18N2O7 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid
PubChem CID21217227
Molecular FormulaC10H18N2O7
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid
SMILESO=C(O)CNCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O7/c13-8(14)5-11-1-3-19-4-2-12(6-9(15)16)7-10(17)18/h11H,1-7H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyMYQOESHEIISUMC-UHFFFAOYSA-N
XLogP-1.85
TPSA136.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid (CID 21217227) is 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid is O=C(O)CNCCOCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid?
The InChIKey is MYQOESHEIISUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7/c13-8(14)5-11-1-3-19-4-2-12(6-9(15)16)7-10(17)18/h11H,1-7H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid?
2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid has a molecular weight of 278.26 g/mol, XLogP of -1.85, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethylamino]acetic acid is sourced from PubChem (CID 21217227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).