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

C12H17N3O4 — CID 81362997

IUPAC3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCN1N=C(C(=O)NC(CC(=O)O)C2CC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-15-10(16)5-4-8(14-15)12(19)13-9(6-11(17)18)7-2-3-7/h7,9H,2-6H2,1H3,(H,13,19)(H,17,18)
InChIKeyQTACBGZYYFAVDG-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.04
Rot. Bonds5

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

3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 81362997) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
PubChem CID81362997
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCN1N=C(C(=O)NC(CC(=O)O)C2CC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-15-10(16)5-4-8(14-15)12(19)13-9(6-11(17)18)7-2-3-7/h7,9H,2-6H2,1H3,(H,13,19)(H,17,18)
InChIKeyQTACBGZYYFAVDG-UHFFFAOYSA-N
XLogP-0.04
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (CID 81362997) is 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is CN1N=C(C(=O)NC(CC(=O)O)C2CC2)CCC1=O.
What is the InChIKey of 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is QTACBGZYYFAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15-10(16)5-4-8(14-15)12(19)13-9(6-11(17)18)7-2-3-7/h7,9H,2-6H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(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, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81362997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).