2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid

C8H11N3O4 — CID 105061555

IUPAC2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1ccc(=O)n(CC(N)C(=O)O)n1
InChIInChI=1S/C8H11N3O4/c1-15-6-2-3-7(12)11(10-6)4-5(9)8(13)14/h2-3,5H,4,9H2,1H3,(H,13,14)
InChIKeyOTKLZLMFLLOBET-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.34
Rot. Bonds4

About 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid

2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 105061555) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
PubChem CID105061555
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1ccc(=O)n(CC(N)C(=O)O)n1
InChIInChI=1S/C8H11N3O4/c1-15-6-2-3-7(12)11(10-6)4-5(9)8(13)14/h2-3,5H,4,9H2,1H3,(H,13,14)
InChIKeyOTKLZLMFLLOBET-UHFFFAOYSA-N
XLogP-1.34
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid (CID 105061555) is 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid is COc1ccc(=O)n(CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is OTKLZLMFLLOBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-6-2-3-7(12)11(10-6)4-5(9)8(13)14/h2-3,5H,4,9H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 105061555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).