3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid

C11H15N3O3 — CID 104669732

IUPAC3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid
SMILESCC(C)C(CNC(=O)c1ccnnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(2)9(11(16)17)6-12-10(15)8-3-4-13-14-5-8/h3-5,7,9H,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyRBAGBIDBQZMCRC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.56
Rot. Bonds5

About 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid

3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid (PubChem CID 104669732) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid
PubChem CID104669732
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid
SMILESCC(C)C(CNC(=O)c1ccnnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(2)9(11(16)17)6-12-10(15)8-3-4-13-14-5-8/h3-5,7,9H,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyRBAGBIDBQZMCRC-UHFFFAOYSA-N
XLogP0.56
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
N-(3-amino-2-hydroxy-3-oxopropyl)pyridazine-4-carboxamide
CID 106164807
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid (CID 104669732) is 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid is CC(C)C(CNC(=O)c1ccnnc1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid?
The InChIKey is RBAGBIDBQZMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(2)9(11(16)17)6-12-10(15)8-3-4-13-14-5-8/h3-5,7,9H,6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid?
3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid is sourced from PubChem (CID 104669732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).