methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate

C13H19N3O4 — CID 114393825

IUPACmethyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
SMILESCOC(=O)C(C)(O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C13H19N3O4/c1-13(19,12(18)20-2)9-16-11(17)7-10(8-14-16)15-5-3-4-6-15/h7-8,19H,3-6,9H2,1-2H3
InChIKeyUNHYHCMSRNOCHC-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.23
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate

methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate (PubChem CID 114393825) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
PubChem CID114393825
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
SMILESCOC(=O)C(C)(O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C13H19N3O4/c1-13(19,12(18)20-2)9-16-11(17)7-10(8-14-16)15-5-3-4-6-15/h7-8,19H,3-6,9H2,1-2H3
InChIKeyUNHYHCMSRNOCHC-UHFFFAOYSA-N
XLogP-0.23
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanehydrazide
CID 114398451
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[2-(2-methylbutan-2-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397416
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
ethyl (E)-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoate
CID 114393911
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate (CID 114393825) is methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate is COC(=O)C(C)(O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The InChIKey is UNHYHCMSRNOCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(19,12(18)20-2)9-16-11(17)7-10(8-14-16)15-5-3-4-6-15/h7-8,19H,3-6,9H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate has a molecular weight of 281.31 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate is sourced from PubChem (CID 114393825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).