2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid

C5H7F2NO5 — CID 89358220

IUPAC2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid
SMILESCOC(F)(F)C(=O)NOCC(=O)O
InChIInChI=1S/C5H7F2NO5/c1-12-5(6,7)4(11)8-13-2-3(9)10/h2H2,1H3,(H,8,11)(H,9,10)
InChIKeyAGWGJEWNUBOEFC-UHFFFAOYSA-N
MW199.11 g/mol
LogP-0.64
Rot. Bonds5

About 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid

2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid (PubChem CID 89358220) has the molecular formula C5H7F2NO5 and a molecular weight of 199.11 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid
PubChem CID89358220
Molecular FormulaC5H7F2NO5
Molecular Weight199.11 g/mol
Exact Mass199.03
IUPAC Name2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid
SMILESCOC(F)(F)C(=O)NOCC(=O)O
InChIInChI=1S/C5H7F2NO5/c1-12-5(6,7)4(11)8-13-2-3(9)10/h2H2,1H3,(H,8,11)(H,9,10)
InChIKeyAGWGJEWNUBOEFC-UHFFFAOYSA-N
XLogP-0.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid (CID 89358220) is 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid is COC(F)(F)C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid?
The InChIKey is AGWGJEWNUBOEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO5/c1-12-5(6,7)4(11)8-13-2-3(9)10/h2H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid?
2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid has a molecular weight of 199.11 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-methoxyacetyl)amino]oxyacetic acid is sourced from PubChem (CID 89358220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).