2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid

C12H15N3O4 — CID 61371685

IUPAC2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
SMILESCOC(=O)c1ccc(N2CCCC2CC(=O)O)nn1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)9-4-5-10(14-13-9)15-6-2-3-8(15)7-11(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyIUYHRYAROZPQAQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.71
Rot. Bonds4

About 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid

2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371685) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
PubChem CID61371685
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
SMILESCOC(=O)c1ccc(N2CCCC2CC(=O)O)nn1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)9-4-5-10(14-13-9)15-6-2-3-8(15)7-11(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyIUYHRYAROZPQAQ-UHFFFAOYSA-N
XLogP0.71
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
CID 116972319
methyl 6-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]pyridazine-3-carboxylate
CID 100899631
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 133281007
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 94023511
methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
CID 133269783
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
CID 116640255

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid (CID 61371685) is 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid is COC(=O)c1ccc(N2CCCC2CC(=O)O)nn1.
What is the InChIKey of 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is IUYHRYAROZPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-12(18)9-4-5-10(14-13-9)15-6-2-3-8(15)7-11(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).