1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid

C11H13N3O4 — CID 63031839

IUPAC1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCOC(=O)c1ccc(N2CCC(C(=O)O)C2)nn1
InChIInChI=1S/C11H13N3O4/c1-18-11(17)8-2-3-9(13-12-8)14-5-4-7(6-14)10(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyLYXBENAQYKLOBW-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.17
Rot. Bonds3

About 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid

1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63031839) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID63031839
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCOC(=O)c1ccc(N2CCC(C(=O)O)C2)nn1
InChIInChI=1S/C11H13N3O4/c1-18-11(17)8-2-3-9(13-12-8)14-5-4-7(6-14)10(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyLYXBENAQYKLOBW-UHFFFAOYSA-N
XLogP0.17
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid (CID 63031839) is 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid is COC(=O)c1ccc(N2CCC(C(=O)O)C2)nn1.
What is the InChIKey of 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is LYXBENAQYKLOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-18-11(17)8-2-3-9(13-12-8)14-5-4-7(6-14)10(15)16/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid?
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).