(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate

C13H14N2O6 — CID 91494409

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)On1c(O)ccc1O
InChIInChI=1S/C13H14N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-7,18-19H,1-3,8H2
InChIKeyIKYZMWAIIQYXRY-UHFFFAOYSA-N
MW294.26 g/mol
LogP-0.05
Rot. Bonds6

About (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate

(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 91494409) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID91494409
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)On1c(O)ccc1O
InChIInChI=1S/C13H14N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-7,18-19H,1-3,8H2
InChIKeyIKYZMWAIIQYXRY-UHFFFAOYSA-N
XLogP-0.05
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 54541577
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
(2,5-Dihydroxypyrrol-1-yl) 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91522402
(2,5-Dihydroxypyrrol-1-yl) 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoate
CID 123963877
(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-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 53710762
(2,5-Dihydroxypyrrol-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 53745223
1-[8-(2,5-Dihydroxypyrrol-1-yl)oxyoctyl]pyrrole-2,5-dione
CID 53838131

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 91494409) is (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate is O=C(CCCCN1C(=O)C=CC1=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is IKYZMWAIIQYXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-7,18-19H,1-3,8H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 294.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 91494409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).