2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid

C13H14N2O6 — CID 91027626

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESO=C(O)C(CCCN1C(=O)C=CC1=O)n1c(O)ccc1O
InChIInChI=1S/C13H14N2O6/c16-9-3-4-10(17)14(9)7-1-2-8(13(20)21)15-11(18)5-6-12(15)19/h3-6,8,18-19H,1-2,7H2,(H,20,21)
InChIKeyZSQWZWMOUYDBAP-UHFFFAOYSA-N
MW294.26 g/mol
LogP0.23
Rot. Bonds6

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

2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid (PubChem CID 91027626) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid
PubChem CID91027626
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESO=C(O)C(CCCN1C(=O)C=CC1=O)n1c(O)ccc1O
InChIInChI=1S/C13H14N2O6/c16-9-3-4-10(17)14(9)7-1-2-8(13(20)21)15-11(18)5-6-12(15)19/h3-6,8,18-19H,1-2,7H2,(H,20,21)
InChIKeyZSQWZWMOUYDBAP-UHFFFAOYSA-N
XLogP0.23
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 50.23
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

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 123914070
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 91291927
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
5-(2,5-Dihydroxypyrrol-1-yl)-2-methylidenepentanoic acid
CID 53706268
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 53866411
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid (CID 91027626) is 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid is O=C(O)C(CCCN1C(=O)C=CC1=O)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The InChIKey is ZSQWZWMOUYDBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c16-9-3-4-10(17)14(9)7-1-2-8(13(20)21)15-11(18)5-6-12(15)19/h3-6,8,18-19H,1-2,7H2,(H,20,21).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid?
2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid has a molecular weight of 294.26 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-5-(2,5-dioxopyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 91027626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).