3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid

C11H15BrN4O3 — CID 107325395

IUPAC3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCn1ncc(N2CCC(N)(C(=O)O)C2)c(Br)c1=O
InChIInChI=1S/C11H15BrN4O3/c1-2-16-9(17)8(12)7(5-14-16)15-4-3-11(13,6-15)10(18)19/h5H,2-4,6,13H2,1H3,(H,18,19)
InChIKeyUVVYQVQTCRLUSZ-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.02
Rot. Bonds3

About 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325395) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325395
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCn1ncc(N2CCC(N)(C(=O)O)C2)c(Br)c1=O
InChIInChI=1S/C11H15BrN4O3/c1-2-16-9(17)8(12)7(5-14-16)15-4-3-11(13,6-15)10(18)19/h5H,2-4,6,13H2,1H3,(H,18,19)
InChIKeyUVVYQVQTCRLUSZ-UHFFFAOYSA-N
XLogP0.02
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(1,4-diazepan-1-yl)-2-ethylpyridazin-3-one
CID 114430996
4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
CID 104976047
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-ethylpyridazin-3-one
CID 114443647
4-bromo-2-ethyl-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
CID 114443681
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325271
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
3-amino-1-(2-bromo-4-methylphenyl)piperidine-3-carboxylic acid
CID 117011872
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324856
3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
CID 107325141
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid (CID 107325395) is 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid is CCn1ncc(N2CCC(N)(C(=O)O)C2)c(Br)c1=O.
What is the InChIKey of 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is UVVYQVQTCRLUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-2-16-9(17)8(12)7(5-14-16)15-4-3-11(13,6-15)10(18)19/h5H,2-4,6,13H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 331.17 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).