3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

C12H17N3O5 — CID 81077374

IUPAC3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)NC(COC)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-3-6-15-10(16)5-4-8(14-15)11(17)13-9(7-20-2)12(18)19/h4-5,9H,3,6-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyGLUJCXYDQFRLPF-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.52
Rot. Bonds7

About 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 81077374) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID81077374
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)NC(COC)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-3-6-15-10(16)5-4-8(14-15)11(17)13-9(7-20-2)12(18)19/h4-5,9H,3,6-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyGLUJCXYDQFRLPF-UHFFFAOYSA-N
XLogP-0.52
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

Analyze 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (CID 81077374) is 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is CCCn1nc(C(=O)NC(COC)C(=O)O)ccc1=O.
What is the InChIKey of 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is GLUJCXYDQFRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-6-15-10(16)5-4-8(14-15)11(17)13-9(7-20-2)12(18)19/h4-5,9H,3,6-7H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81077374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).