2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate

C10H13N2O8-3 — CID 25201827

IUPAC2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate
SMILESO=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-3
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-K
MW289.22 g/mol
LogP-8.83
Rot. Bonds11

About 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate

2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate (PubChem CID 25201827) has the molecular formula C10H13N2O8-3 and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate
PubChem CID25201827
Molecular FormulaC10H13N2O8-3
Molecular Weight289.22 g/mol
Exact Mass289.07
IUPAC Name2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate
SMILESO=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-3
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-K
XLogP-8.83
TPSA168.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 5-8.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)azaniumyl]acetate
CID 51590996
tris(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(gold(3+))
CID 173205311
tetracalcium bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate)
CID 157417440
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;palladium
CID 15436232
dimagnesium;2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate
CID 154706747
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
triazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 139597842
pentakis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(vanadium)
CID 173065656
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
potassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+)
CID 172907632
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
heptakis(2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate);pentakis(technetium(7+))
CID 173079714

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate?
The IUPAC name of 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate (CID 25201827) is 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate?
The canonical SMILES for 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate is O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].
What is the InChIKey of 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate?
The InChIKey is KCXVZYZYPLLWCC-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-3.
What are the key properties of 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate?
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate has a molecular weight of 289.22 g/mol, XLogP of -8.83, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)azaniumyl]acetate is sourced from PubChem (CID 25201827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).