(2,5-dihydroxypyrrol-1-yl) butanoate

C8H11NO4 — CID 54133325

IUPAC(2,5-dihydroxypyrrol-1-yl) butanoate
SMILESCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h4-5,10-11H,2-3H2,1H3
InChIKeyNWVAXQSROMMWEG-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.65
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) butanoate

(2,5-dihydroxypyrrol-1-yl) butanoate (PubChem CID 54133325) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) butanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) butanoate
PubChem CID54133325
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) butanoate
SMILESCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h4-5,10-11H,2-3H2,1H3
InChIKeyNWVAXQSROMMWEG-UHFFFAOYSA-N
XLogP0.65
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2,5-dihydroxypyrrol-1-yl) 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
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
CID 53669639
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-Iodopyrrole-2,5-diol
CID 53748320
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
1-Chloropyrrole-2,5-diol
CID 53783263

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) butanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) butanoate (CID 54133325) is (2,5-dihydroxypyrrol-1-yl) butanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) butanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) butanoate is CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) butanoate?
The InChIKey is NWVAXQSROMMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h4-5,10-11H,2-3H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) butanoate?
(2,5-dihydroxypyrrol-1-yl) butanoate has a molecular weight of 185.18 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) butanoate is sourced from PubChem (CID 54133325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).