3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid

C11H14N2O6 — CID 123870263

IUPAC3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid
SMILESO=C(O)N1CCCC(C(=O)O)(n2c(O)ccc2O)C1
InChIInChI=1S/C11H14N2O6/c14-7-2-3-8(15)13(7)11(9(16)17)4-1-5-12(6-11)10(18)19/h2-3,14-15H,1,4-6H2,(H,16,17)(H,18,19)
InChIKeyURSXWBWBGVZTDD-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.45
Rot. Bonds2

About 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid

3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid (PubChem CID 123870263) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid
PubChem CID123870263
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid
SMILESO=C(O)N1CCCC(C(=O)O)(n2c(O)ccc2O)C1
InChIInChI=1S/C11H14N2O6/c14-7-2-3-8(15)13(7)11(9(16)17)4-1-5-12(6-11)10(18)19/h2-3,14-15H,1,4-6H2,(H,16,17)(H,18,19)
InChIKeyURSXWBWBGVZTDD-UHFFFAOYSA-N
XLogP0.45
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
1-(2,5-Dihydroxypyrrol-1-yl)-1-methylpiperidin-1-ium-3-carboxylic acid
CID 57008964
2-(2,5-Dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid
CID 91027626
2-(2,5-Dihydroxypyrrol-1-yl)-2-methylhexanedioic acid
CID 91297564
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-4-methylpentanoic acid
CID 123340872
2-(2,5-Dihydroxypyrrol-1-yl)-4-methylpentanoic acid
CID 123362735
(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid
CID 123476658

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid (CID 123870263) is 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid is O=C(O)N1CCCC(C(=O)O)(n2c(O)ccc2O)C1.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid?
The InChIKey is URSXWBWBGVZTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-7-2-3-8(15)13(7)11(9(16)17)4-1-5-12(6-11)10(18)19/h2-3,14-15H,1,4-6H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid?
3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 123870263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).