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

C12H17N3O5 — CID 43355011

IUPAC4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid
SMILESCOCCn1nc(C(=O)NCCCC(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-20-8-7-15-10(16)5-4-9(14-15)12(19)13-6-2-3-11(17)18/h4-5H,2-3,6-8H2,1H3,(H,13,19)(H,17,18)
InChIKeyHNPQNOPNQPLECJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.52
Rot. Bonds8

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

4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid (PubChem CID 43355011) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid
PubChem CID43355011
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid
SMILESCOCCn1nc(C(=O)NCCCC(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-20-8-7-15-10(16)5-4-9(14-15)12(19)13-6-2-3-11(17)18/h4-5H,2-3,6-8H2,1H3,(H,13,19)(H,17,18)
InChIKeyHNPQNOPNQPLECJ-UHFFFAOYSA-N
XLogP-0.52
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid (CID 43355011) is 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid is COCCn1nc(C(=O)NCCCC(=O)O)ccc1=O.
What is the InChIKey of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
The InChIKey is HNPQNOPNQPLECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-20-8-7-15-10(16)5-4-9(14-15)12(19)13-6-2-3-11(17)18/h4-5H,2-3,6-8H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.52, 8 rotatable bonds, 2 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]amino]butanoic acid is sourced from PubChem (CID 43355011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).