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

C12H17N3O4 — CID 43360429

IUPAC2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCN1N=C(C(=O)NC(C)(C(=O)O)C2CC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-12(11(18)19,7-3-4-7)13-10(17)8-5-6-9(16)15(2)14-8/h7H,3-6H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyCFQXZBNCAGRRMD-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.04
Rot. Bonds4

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

2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43360429) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43360429
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCN1N=C(C(=O)NC(C)(C(=O)O)C2CC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-12(11(18)19,7-3-4-7)13-10(17)8-5-6-9(16)15(2)14-8/h7H,3-6H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyCFQXZBNCAGRRMD-UHFFFAOYSA-N
XLogP-0.04
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (CID 43360429) is 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is CN1N=C(C(=O)NC(C)(C(=O)O)C2CC2)CCC1=O.
What is the InChIKey of 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is CFQXZBNCAGRRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(11(18)19,7-3-4-7)13-10(17)8-5-6-9(16)15(2)14-8/h7H,3-6H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43360429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).