3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid

C12H17N3O5 — CID 114393897

IUPAC3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid
SMILESO=C(O)CC(O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H17N3O5/c16-10(6-12(18)19)8-15-11(17)5-9(7-13-15)14-1-3-20-4-2-14/h5,7,10,16H,1-4,6,8H2,(H,18,19)
InChIKeyQIOBXERTLFNLMY-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.08
Rot. Bonds5

About 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid

3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 114393897) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID114393897
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid
SMILESO=C(O)CC(O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H17N3O5/c16-10(6-12(18)19)8-15-11(17)5-9(7-13-15)14-1-3-20-4-2-14/h5,7,10,16H,1-4,6,8H2,(H,18,19)
InChIKeyQIOBXERTLFNLMY-UHFFFAOYSA-N
XLogP-1.08
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid (CID 114393897) is 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid is O=C(O)CC(O)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is QIOBXERTLFNLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-10(6-12(18)19)8-15-11(17)5-9(7-13-15)14-1-3-20-4-2-14/h5,7,10,16H,1-4,6,8H2,(H,18,19).
What are the key properties of 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid?
3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 283.28 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 114393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).