1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H17N3O4 — CID 104669366

IUPAC1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-3-10-9(4-7(2)14-15-10)12(18)16-6-8(17)5-11(16)13(19)20/h4,8,11,17H,3,5-6H2,1-2H3,(H,19,20)
InChIKeyUXKHJHOCLGBLKM-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.01
Rot. Bonds3

About 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 104669366) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID104669366
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-3-10-9(4-7(2)14-15-10)12(18)16-6-8(17)5-11(16)13(19)20/h4,8,11,17H,3,5-6H2,1-2H3,(H,19,20)
InChIKeyUXKHJHOCLGBLKM-UHFFFAOYSA-N
XLogP0.01
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-(3,6-dimethylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113439181
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481641
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481435
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 104669654
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117046
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
1-(3,6-dichloropyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356897
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66120512
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
(3-chloropyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672468

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 104669366) is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCc1nnc(C)cc1C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UXKHJHOCLGBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-10-9(4-7(2)14-15-10)12(18)16-6-8(17)5-11(16)13(19)20/h4,8,11,17H,3,5-6H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104669366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).