2-[bis(carboxylatomethyl)amino]acetate

C6H6NO6-3 — CID 3081459

IUPAC2-[bis(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(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)/p-3
InChIKeyMGFYIUFZLHCRTH-UHFFFAOYSA-K
MW188.11 g/mol
LogP-5.46
Rot. Bonds6

About 2-[bis(carboxylatomethyl)amino]acetate

2-[bis(carboxylatomethyl)amino]acetate (PubChem CID 3081459) has the molecular formula C6H6NO6-3 and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-[bis(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Name2-[bis(carboxylatomethyl)amino]acetate
PubChem CID3081459
Molecular FormulaC6H6NO6-3
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-[bis(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(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)/p-3
InChIKeyMGFYIUFZLHCRTH-UHFFFAOYSA-K
XLogP-5.46
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-5.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxylatomethyl)amino]acetate?
The IUPAC name of 2-[bis(carboxylatomethyl)amino]acetate (CID 3081459) is 2-[bis(carboxylatomethyl)amino]acetate.
What is the SMILES notation for 2-[bis(carboxylatomethyl)amino]acetate?
The canonical SMILES for 2-[bis(carboxylatomethyl)amino]acetate is O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].
What is the InChIKey of 2-[bis(carboxylatomethyl)amino]acetate?
The InChIKey is MGFYIUFZLHCRTH-UHFFFAOYSA-K. 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)/p-3.
What are the key properties of 2-[bis(carboxylatomethyl)amino]acetate?
2-[bis(carboxylatomethyl)amino]acetate has a molecular weight of 188.11 g/mol, XLogP of -5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 3081459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).