3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

C8H11N3O3 — CID 130492096

IUPAC3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(C(CN)C(=O)O)c(=O)c1
InChIInChI=1S/C8H11N3O3/c1-5-2-7(12)11(10-4-5)6(3-9)8(13)14/h2,4,6H,3,9H2,1H3,(H,13,14)
InChIKeyVOLPCBNPQYTCIV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.86
Rot. Bonds3

About 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 130492096) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID130492096
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(C(CN)C(=O)O)c(=O)c1
InChIInChI=1S/C8H11N3O3/c1-5-2-7(12)11(10-4-5)6(3-9)8(13)14/h2,4,6H,3,9H2,1H3,(H,13,14)
InChIKeyVOLPCBNPQYTCIV-UHFFFAOYSA-N
XLogP-0.86
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 130492096) is 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1cnn(C(CN)C(=O)O)c(=O)c1.
What is the InChIKey of 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is VOLPCBNPQYTCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-2-7(12)11(10-4-5)6(3-9)8(13)14/h2,4,6H,3,9H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 130492096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).