4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid

C11H15NO6 — CID 91073701

IUPAC4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid
SMILESCCC(CCC(=O)O)C(=O)On1c(O)ccc1O
InChIInChI=1S/C11H15NO6/c1-2-7(3-6-10(15)16)11(17)18-12-8(13)4-5-9(12)14/h4-5,7,13-14H,2-3,6H2,1H3,(H,15,16)
InChIKeyWENMNSLUVIDRGK-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.75
Rot. Bonds6

About 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid

4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid (PubChem CID 91073701) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid.

Molecular Properties

Compound Name4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid
PubChem CID91073701
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid
SMILESCCC(CCC(=O)O)C(=O)On1c(O)ccc1O
InChIInChI=1S/C11H15NO6/c1-2-7(3-6-10(15)16)11(17)18-12-8(13)4-5-9(12)14/h4-5,7,13-14H,2-3,6H2,1H3,(H,15,16)
InChIKeyWENMNSLUVIDRGK-UHFFFAOYSA-N
XLogP0.75
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid 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) acetate
CID 53633352
16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-methylprop-2-enoate
CID 54196822
Bis(2,5-dihydroxypyrrol-1-yl) hexanedioate
CID 54240968
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
Bis(2,5-dihydroxypyrrol-1-yl) pentanedioate
CID 54387525
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-methyl butanedioate
CID 57291270

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid?
The IUPAC name of 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid (CID 91073701) is 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid.
What is the SMILES notation for 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid?
The canonical SMILES for 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid is CCC(CCC(=O)O)C(=O)On1c(O)ccc1O.
What is the InChIKey of 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid?
The InChIKey is WENMNSLUVIDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-2-7(3-6-10(15)16)11(17)18-12-8(13)4-5-9(12)14/h4-5,7,13-14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid?
4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid has a molecular weight of 257.24 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid is sourced from PubChem (CID 91073701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).