4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid

C11H15NO7 — CID 10891031

IUPAC4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid
SMILESCOC(=O)C1(O)C(OC)=CC(=O)N1CCCC(=O)O
InChIInChI=1S/C11H15NO7/c1-18-7-6-8(13)12(5-3-4-9(14)15)11(7,17)10(16)19-2/h6,17H,3-5H2,1-2H3,(H,14,15)
InChIKeyOWGUTKKAXQSOPD-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.91
Rot. Bonds6

About 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid

4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid (PubChem CID 10891031) has the molecular formula C11H15NO7 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid
PubChem CID10891031
Molecular FormulaC11H15NO7
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Name4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid
SMILESCOC(=O)C1(O)C(OC)=CC(=O)N1CCCC(=O)O
InChIInChI=1S/C11H15NO7/c1-18-7-6-8(13)12(5-3-4-9(14)15)11(7,17)10(16)19-2/h6,17H,3-5H2,1-2H3,(H,14,15)
InChIKeyOWGUTKKAXQSOPD-UHFFFAOYSA-N
XLogP-0.91
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-butyl-2,2-dimethyl-5-oxopyrrole-3-carboxylate
CID 100961005
4-[(4S)-4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]butanoic acid
CID 1254843
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
4-[(2S,6R,8R,12S)-10-(3-carboxypropyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]butanoic acid
CID 99719684
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
bis(7-(3-methyl-2,5-dioxopyrrol-1-yl)heptanoic acid);zinc
CID 162224354
4-[7-methoxy-2,2-dimethyl-4-(sulfomethyl)-3,4-dihydroquinolin-1-yl]butanoic acid
CID 58049194
4-(1-methoxycarbonylcyclopentyl)butanoic acid
CID 139435160
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818
CID 87067075
CID 87067075

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid?
The IUPAC name of 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid (CID 10891031) is 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid is COC(=O)C1(O)C(OC)=CC(=O)N1CCCC(=O)O.
What is the InChIKey of 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid?
The InChIKey is OWGUTKKAXQSOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7/c1-18-7-6-8(13)12(5-3-4-9(14)15)11(7,17)10(16)19-2/h6,17H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid?
4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid has a molecular weight of 273.24 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid is sourced from PubChem (CID 10891031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).