(2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate

C9H9F3N2O5 — CID 90957654

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESO=C(CCNC(=O)C(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C9H9F3N2O5/c10-9(11,12)8(18)13-4-3-7(17)19-14-5(15)1-2-6(14)16/h1-2,15-16H,3-4H2,(H,13,18)
InChIKeyUDVXSOWNCSCQAF-UHFFFAOYSA-N
MW282.17 g/mol
LogP-0.08
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate

(2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 90957654) has the molecular formula C9H9F3N2O5 and a molecular weight of 282.17 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID90957654
Molecular FormulaC9H9F3N2O5
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESO=C(CCNC(=O)C(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C9H9F3N2O5/c10-9(11,12)8(18)13-4-3-7(17)19-14-5(15)1-2-6(14)16/h1-2,15-16H,3-4H2,(H,13,18)
InChIKeyUDVXSOWNCSCQAF-UHFFFAOYSA-N
XLogP-0.08
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 5-0.08
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) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 3-azidopropanoate
CID 91615862
(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) 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
CID 90873769
(2,5-Dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 90885722
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) 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 91535317

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 90957654) is (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate is O=C(CCNC(=O)C(F)(F)F)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is UDVXSOWNCSCQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O5/c10-9(11,12)8(18)13-4-3-7(17)19-14-5(15)1-2-6(14)16/h1-2,15-16H,3-4H2,(H,13,18).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 282.17 g/mol, XLogP of -0.08, 4 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) 3-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 90957654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).