2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid

C10H15N3O5 — CID 106107690

IUPAC2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O5/c1-13-8(14)4-3-6(12-13)9(15)11-5-7(18-2)10(16)17/h7H,3-5H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyWXNYPGFIEIBGRT-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.19
Rot. Bonds5

About 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid

2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 106107690) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
PubChem CID106107690
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O5/c1-13-8(14)4-3-6(12-13)9(15)11-5-7(18-2)10(16)17/h7H,3-5H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyWXNYPGFIEIBGRT-UHFFFAOYSA-N
XLogP-1.19
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (CID 106107690) is 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is COC(CNC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is WXNYPGFIEIBGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-13-8(14)4-3-6(12-13)9(15)11-5-7(18-2)10(16)17/h7H,3-5H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106107690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).