2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid

C8H14FNO5 — CID 59170330

IUPAC2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid
SMILESCC(C)(C)OC(F)C(=O)NOCC(=O)O
InChIInChI=1S/C8H14FNO5/c1-8(2,3)15-6(9)7(13)10-14-4-5(11)12/h6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUNSKBLBPZQXLPH-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.23
Rot. Bonds5

About 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid

2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid (PubChem CID 59170330) has the molecular formula C8H14FNO5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid
PubChem CID59170330
Molecular FormulaC8H14FNO5
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid
SMILESCC(C)(C)OC(F)C(=O)NOCC(=O)O
InChIInChI=1S/C8H14FNO5/c1-8(2,3)15-6(9)7(13)10-14-4-5(11)12/h6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUNSKBLBPZQXLPH-UHFFFAOYSA-N
XLogP0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.23
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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Related Compounds

2-[(2,2-difluoroacetyl)amino]oxyacetic acid
CID 103513309
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
CID 103309195
2-[[(2R)-2-aminobutanoyl]amino]oxyacetic acid
CID 104867444
2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid
CID 107570675
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
CID 114274918
2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
CID 63912304
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
CID 53397461
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
CID 106278948
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid (CID 59170330) is 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid is CC(C)(C)OC(F)C(=O)NOCC(=O)O.
What is the InChIKey of 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid?
The InChIKey is UNSKBLBPZQXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO5/c1-8(2,3)15-6(9)7(13)10-14-4-5(11)12/h6H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid?
2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid has a molecular weight of 223.20 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxyacetic acid is sourced from PubChem (CID 59170330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).