methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate

C12H15N3O5 — CID 115971005

IUPACmethyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H15N3O5/c1-14-10(17)4-3-8(13-14)11(18)15-6-7(16)5-9(15)12(19)20-2/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyQQDIHOLTTORISL-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.47
Rot. Bonds2

About methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 115971005) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID115971005
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H15N3O5/c1-14-10(17)4-3-8(13-14)11(18)15-6-7(16)5-9(15)12(19)20-2/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyQQDIHOLTTORISL-UHFFFAOYSA-N
XLogP-1.47
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S,4R)-4-(2-fluorophenoxy)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 99875073
methyl 4-hydroxy-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 112632394
methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 112632486
methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 19011715
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
methyl 4-hydroxy-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632300
methyl 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632554
methyl 4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 112632472
methyl 1-(2,4-dimethylbenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971329
methyl (2S,4R)-1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 50972197
methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971202
methyl 1-(2,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970979

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate (CID 115971005) is methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is QQDIHOLTTORISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-14-10(17)4-3-8(13-14)11(18)15-6-7(16)5-9(15)12(19)20-2/h3-4,7,9,16H,5-6H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).