4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid

C13H19N3O5 — CID 43360001

IUPAC4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid
SMILESCOCCn1nc(C(=O)N(C)CCCC(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-15(7-3-4-12(18)19)13(20)10-5-6-11(17)16(14-10)8-9-21-2/h5-6H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyHTRHEEIKZGHTIH-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.17
Rot. Bonds8

About 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid

4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid (PubChem CID 43360001) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid
PubChem CID43360001
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid
SMILESCOCCn1nc(C(=O)N(C)CCCC(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-15(7-3-4-12(18)19)13(20)10-5-6-11(17)16(14-10)8-9-21-2/h5-6H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyHTRHEEIKZGHTIH-UHFFFAOYSA-N
XLogP-0.17
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid (CID 43360001) is 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid is COCCn1nc(C(=O)N(C)CCCC(=O)O)ccc1=O.
What is the InChIKey of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid?
The InChIKey is HTRHEEIKZGHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15(7-3-4-12(18)19)13(20)10-5-6-11(17)16(14-10)8-9-21-2/h5-6H,3-4,7-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid?
4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 43360001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).