(2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate

C10H11F3N2O5 — CID 91465498

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESO=C(CCCNC(=O)C(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C10H11F3N2O5/c11-10(12,13)9(19)14-5-1-2-8(18)20-15-6(16)3-4-7(15)17/h3-4,16-17H,1-2,5H2,(H,14,19)
InChIKeyHHFGYDTWJQALCN-UHFFFAOYSA-N
MW296.20 g/mol
LogP0.31
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate

(2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate (PubChem CID 91465498) has the molecular formula C10H11F3N2O5 and a molecular weight of 296.20 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
PubChem CID91465498
Molecular FormulaC10H11F3N2O5
Molecular Weight296.20 g/mol
Exact Mass296.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESO=C(CCCNC(=O)C(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C10H11F3N2O5/c11-10(12,13)9(19)14-5-1-2-8(18)20-15-6(16)3-4-7(15)17/h3-4,16-17H,1-2,5H2,(H,14,19)
InChIKeyHHFGYDTWJQALCN-UHFFFAOYSA-N
XLogP0.31
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
(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
(2,5-Dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 90957654
(2,5-Dihydroxypyrrol-1-yl) 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 91224917
N-[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-hydroxyhexyl]-2,2,2-trifluoroacetamide
CID 91392457
(2,5-Dihydroxypyrrol-1-yl) 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91522402

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate (CID 91465498) is (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate is O=C(CCCNC(=O)C(F)(F)F)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate?
The InChIKey is HHFGYDTWJQALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O5/c11-10(12,13)9(19)14-5-1-2-8(18)20-15-6(16)3-4-7(15)17/h3-4,16-17H,1-2,5H2,(H,14,19).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate?
(2,5-dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate has a molecular weight of 296.20 g/mol, XLogP of 0.31, 5 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) 4-[(2,2,2-trifluoroacetyl)amino]butanoate is sourced from PubChem (CID 91465498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).