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

C9H11NO6 — CID 54149107

IUPAC2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h2-3,5,11-12H,1,4H2,(H,13,14)(H,15,16)
InChIKeyOGMIUTPVNVGIQE-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.39
Rot. Bonds5

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

2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid (PubChem CID 54149107) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
PubChem CID54149107
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h2-3,5,11-12H,1,4H2,(H,13,14)(H,15,16)
InChIKeyOGMIUTPVNVGIQE-UHFFFAOYSA-N
XLogP0.39
TPSA119.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-3-sulfanylpropanoic acid
CID 54030153
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
2,2-Bis(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 54169682
bis(2,5-dihydroxypyrrol-1-yl) (2S)-2-aminopentanedioate
CID 54170576
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 123914070
(2S)-2-[bis(2,5-dihydroxypyrrol-1-yl)amino]pentanedioic acid
CID 91360017
5-(2,5-Dihydroxypyrrol-1-yl)oxypentanoic acid
CID 53662773

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid (CID 54149107) is 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid is O=C(O)CCC(C(=O)O)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid?
The InChIKey is OGMIUTPVNVGIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h2-3,5,11-12H,1,4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid?
2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid has a molecular weight of 229.19 g/mol, XLogP of 0.39, 5 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)pentanedioic acid is sourced from PubChem (CID 54149107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).