(2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate

C8H7F3N2O5 — CID 90885722

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESO=C(CNC(=O)C(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C8H7F3N2O5/c9-8(10,11)7(17)12-3-6(16)18-13-4(14)1-2-5(13)15/h1-2,14-15H,3H2,(H,12,17)
InChIKeyZSGLLKZEWQFFKZ-UHFFFAOYSA-N
MW268.15 g/mol
LogP-0.47
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 90885722) has the molecular formula C8H7F3N2O5 and a molecular weight of 268.15 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID90885722
Molecular FormulaC8H7F3N2O5
Molecular Weight268.15 g/mol
Exact Mass268.03
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESO=C(CNC(=O)C(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C8H7F3N2O5/c9-8(10,11)7(17)12-3-6(16)18-13-4(14)1-2-5(13)15/h1-2,14-15H,3H2,(H,12,17)
InChIKeyZSGLLKZEWQFFKZ-UHFFFAOYSA-N
XLogP-0.47
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54125299
(2,5-Dihydroxypyrrol-1-yl) 12-[(2,2,2-trifluoroacetyl)amino]dodecanoate
CID 90785219
(2,5-Dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 90957654
N-[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-hydroxyhexyl]-2,2,2-trifluoroacetamide
CID 91392457
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 91465498
(2,5-Dihydroxypyrrol-1-yl) 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91522402
(2,5-Dihydroxypyrrol-1-yl) 6-(nona-3,5-diynoylamino)-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123293423
Fluoro 2-(2,5-dihydroxypyrrol-1-yl)-2,2-difluoroacetate
CID 123471607
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
2,5-Dihydroxy-1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]oxypyrrole-3-sulfonic acid
CID 123693710
(2,5-Dihydroxypyrrol-1-yl) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 90885722) is (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate is O=C(CNC(=O)C(F)(F)F)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is ZSGLLKZEWQFFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O5/c9-8(10,11)7(17)12-3-6(16)18-13-4(14)1-2-5(13)15/h1-2,14-15H,3H2,(H,12,17).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 268.15 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 90885722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).