2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid

C6H12N2O6 — CID 87407867

IUPAC2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid
SMILESO=C(O)CONCCNOCC(=O)O
InChIInChI=1S/C6H12N2O6/c9-5(10)3-13-7-1-2-8-14-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyYCOKCXVPMDPMHY-UHFFFAOYSA-N
MW208.17 g/mol
LogP-1.80
Rot. Bonds9

About 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid

2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid (PubChem CID 87407867) has the molecular formula C6H12N2O6 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid
PubChem CID87407867
Molecular FormulaC6H12N2O6
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Name2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid
SMILESO=C(O)CONCCNOCC(=O)O
InChIInChI=1S/C6H12N2O6/c9-5(10)3-13-7-1-2-8-14-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyYCOKCXVPMDPMHY-UHFFFAOYSA-N
XLogP-1.80
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid?
The IUPAC name of 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid (CID 87407867) is 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid?
The canonical SMILES for 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid is O=C(O)CONCCNOCC(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid?
The InChIKey is YCOKCXVPMDPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O6/c9-5(10)3-13-7-1-2-8-14-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid?
2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid has a molecular weight of 208.17 g/mol, XLogP of -1.80, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid is sourced from PubChem (CID 87407867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).