2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate

C10H16N2O8 — CID 5232305

IUPAC2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](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)
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-N
MW292.24 g/mol
LogP-7.57
Rot. Bonds11

About 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate

2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate (PubChem CID 5232305) has the molecular formula C10H16N2O8 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate
PubChem CID5232305
Molecular FormulaC10H16N2O8
Molecular Weight292.24 g/mol
Exact Mass292.09
IUPAC Name2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](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)
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-N
XLogP-7.57
TPSA163.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-7.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate?
The IUPAC name of 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate (CID 5232305) is 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate?
The canonical SMILES for 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate is O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate?
The InChIKey is KCXVZYZYPLLWCC-UHFFFAOYSA-N. 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).
What are the key properties of 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate?
2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate has a molecular weight of 292.24 g/mol, XLogP of -7.57, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate is sourced from PubChem (CID 5232305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).