2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid

C11H15NO6 — CID 91297564

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid
SMILESCC(CCCC(=O)O)(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C11H15NO6/c1-11(10(17)18,6-2-3-9(15)16)12-7(13)4-5-8(12)14/h4-5,13-14H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyCHYTZBPCFGDPED-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.95
Rot. Bonds6

About 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid

2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid (PubChem CID 91297564) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid
PubChem CID91297564
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid
SMILESCC(CCCC(=O)O)(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C11H15NO6/c1-11(10(17)18,6-2-3-9(15)16)12-7(13)4-5-8(12)14/h4-5,13-14H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyCHYTZBPCFGDPED-UHFFFAOYSA-N
XLogP0.95
TPSA119.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-Bis(2,5-dihydroxypyrrol-1-yl)hexanedioic acid
CID 90705432
2-(2,5-Dihydroxypyrrol-1-yl)-2-methylpropanoic acid
CID 53922320
5-(2,5-Dihydroxypyrrol-1-yl)-6-methoxy-6-oxohexanoic acid
CID 54114330
2-(2,5-Dihydroxypyrrol-1-yl)butane-1,2,4-tricarboxylic acid
CID 90990592
(2,5-Dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate
CID 91363910
1-(2,5-Dihydroxypyrrol-1-yl)-2-ethylcyclopropane-1,2-dicarboxylic acid
CID 123293936
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-4-methylpentanoic acid
CID 123340872
2-(2,5-Dihydroxypyrrol-1-yl)-4-methylpentanoic acid
CID 123362735
(2S,3S)-2-(2,5-dihydroxypyrrol-1-yl)-3-methylpentanoic acid
CID 123541170
3-(2,5-Dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid
CID 123870263

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid (CID 91297564) is 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid is CC(CCCC(=O)O)(C(=O)O)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid?
The InChIKey is CHYTZBPCFGDPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-11(10(17)18,6-2-3-9(15)16)12-7(13)4-5-8(12)14/h4-5,13-14H,2-3,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid?
2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid has a molecular weight of 257.24 g/mol, XLogP of 0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-2-methylhexanedioic acid is sourced from PubChem (CID 91297564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).