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

C9H12N2O3 — CID 106548455

IUPAC2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(CC(C)C(=O)O)c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-6-3-8(12)11(10-4-6)5-7(2)9(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyBZRPRVPLYCQNSY-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.27
Rot. Bonds3

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

2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 106548455) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID106548455
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(CC(C)C(=O)O)c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-6-3-8(12)11(10-4-6)5-7(2)9(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyBZRPRVPLYCQNSY-UHFFFAOYSA-N
XLogP0.27
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Oxo-2,3-dihydropyridazine-2-propanoic acid
CID 62850301
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanoic acid
CID 106548385
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
2-[(6-Oxopyridazin-1-yl)methyl]butanoic acid
CID 70592486
2-Isobutyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CID 97181361
2-Methyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 62848719
2-[(6-Oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 64116288
2,2-Dimethyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 79630256
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
1-Ethyl-6-oxopyridazine-4-carboxylic acid
CID 84652941
6-Oxo-1-propylpyridazine-4-carboxylic acid
CID 84658338
6-Oxo-1-propan-2-ylpyridazine-4-carboxylic acid
CID 84658339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 106548455) is 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1cnn(CC(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is BZRPRVPLYCQNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-3-8(12)11(10-4-6)5-7(2)9(13)14/h3-4,7H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 106548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).