methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate

C13H18N2O4 — CID 66875430

IUPACmethyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)n1ncc(O)cc1=O
InChIInChI=1S/C13H18N2O4/c1-19-13(18)11(6-9-4-2-3-5-9)15-12(17)7-10(16)8-14-15/h7-9,11,16H,2-6H2,1H3
InChIKeyHUSUSFQVMJXAJK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate

methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate (PubChem CID 66875430) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate
PubChem CID66875430
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)n1ncc(O)cc1=O
InChIInChI=1S/C13H18N2O4/c1-19-13(18)11(6-9-4-2-3-5-9)15-12(17)7-10(16)8-14-15/h7-9,11,16H,2-6H2,1H3
InChIKeyHUSUSFQVMJXAJK-UHFFFAOYSA-N
XLogP1.24
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate (CID 66875430) is methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate is COC(=O)C(CC1CCCC1)n1ncc(O)cc1=O.
What is the InChIKey of methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate?
The InChIKey is HUSUSFQVMJXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-13(18)11(6-9-4-2-3-5-9)15-12(17)7-10(16)8-14-15/h7-9,11,16H,2-6H2,1H3.
What are the key properties of methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate?
methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate has a molecular weight of 266.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 66875430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).