2-[bis(carboxymethyl)azaniumyl]acetate

C6H9NO6 — CID 139057210

IUPAC2-[bis(carboxymethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyMGFYIUFZLHCRTH-UHFFFAOYSA-N
MW191.14 g/mol
LogP-4.21
Rot. Bonds6

About 2-[bis(carboxymethyl)azaniumyl]acetate

2-[bis(carboxymethyl)azaniumyl]acetate (PubChem CID 139057210) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)azaniumyl]acetate.

Molecular Properties

Compound Name2-[bis(carboxymethyl)azaniumyl]acetate
PubChem CID139057210
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name2-[bis(carboxymethyl)azaniumyl]acetate
SMILESO=C([O-])C[NH+](CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyMGFYIUFZLHCRTH-UHFFFAOYSA-N
XLogP-4.21
TPSA119.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-4.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)azaniumyl]acetate?
The IUPAC name of 2-[bis(carboxymethyl)azaniumyl]acetate (CID 139057210) is 2-[bis(carboxymethyl)azaniumyl]acetate.
What is the SMILES notation for 2-[bis(carboxymethyl)azaniumyl]acetate?
The canonical SMILES for 2-[bis(carboxymethyl)azaniumyl]acetate is O=C([O-])C[NH+](CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)azaniumyl]acetate?
The InChIKey is MGFYIUFZLHCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-[bis(carboxymethyl)azaniumyl]acetate?
2-[bis(carboxymethyl)azaniumyl]acetate has a molecular weight of 191.14 g/mol, XLogP of -4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)azaniumyl]acetate is sourced from PubChem (CID 139057210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).