1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid

C14H19N3O4 — CID 83059786

IUPAC1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-4-14(13(20)21)6-5-7-17(14)12(19)10-8(2)9(3)15-16-11(10)18/h4-7H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyAFUCIMJUTHBTKA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.86
Rot. Bonds3

About 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83059786) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83059786
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-4-14(13(20)21)6-5-7-17(14)12(19)10-8(2)9(3)15-16-11(10)18/h4-7H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyAFUCIMJUTHBTKA-UHFFFAOYSA-N
XLogP0.86
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 83074911
2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83059025
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075548
1-(2,5-dimethylpyrazole-3-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075103
2-ethyl-1-(3-ethyl-6-methylpyridazine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104669960
1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075485
2-ethyl-1-(2-hydroxy-5-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075957
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83059786) is 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1c(C)c(C)n[nH]c1=O.
What is the InChIKey of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is AFUCIMJUTHBTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-14(13(20)21)6-5-7-17(14)12(19)10-8(2)9(3)15-16-11(10)18/h4-7H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83059786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).