3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid

C11H10N2O6 — CID 90923391

IUPAC3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESO=C(O)CC(N1C(=O)C=CC1=O)n1c(O)ccc1O
InChIInChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)6(5-11(18)19)13-9(16)3-4-10(13)17/h1-4,6,14-15H,5H2,(H,18,19)
InChIKeyGBLFWHRCGAIULE-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.20
Rot. Bonds4

About 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid

3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid (PubChem CID 90923391) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
PubChem CID90923391
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESO=C(O)CC(N1C(=O)C=CC1=O)n1c(O)ccc1O
InChIInChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)6(5-11(18)19)13-9(16)3-4-10(13)17/h1-4,6,14-15H,5H2,(H,18,19)
InChIKeyGBLFWHRCGAIULE-UHFFFAOYSA-N
XLogP-0.20
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
CID 90873769
(2,5-Dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 91535317
(2,5-Dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 123881721
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
Disulfanyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53667797
3-(2,5-Dihydroxypyrrol-1-yl)-2,2-dimethylpropanoic acid
CID 53929637
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731
2-[3-(2,5-Dihydroxypyrrol-1-yl)-2,5-dioxopyrrol-1-yl]acetic acid
CID 53955204
2-(2,5-Dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 53967311

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid (CID 90923391) is 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid is O=C(O)CC(N1C(=O)C=CC1=O)n1c(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The InChIKey is GBLFWHRCGAIULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)6(5-11(18)19)13-9(16)3-4-10(13)17/h1-4,6,14-15H,5H2,(H,18,19).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid has a molecular weight of 266.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid is sourced from PubChem (CID 90923391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).