2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid

C12H17N3O4 — CID 43618751

IUPAC2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-4-7-12(2,11(18)19)13-10(17)8-5-6-9(16)15(3)14-8/h5-6H,4,7H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyQCKRBKWAVLECFK-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.15
Rot. Bonds5

About 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid

2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43618751) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43618751
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-4-7-12(2,11(18)19)13-10(17)8-5-6-9(16)15(3)14-8/h5-6H,4,7H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyQCKRBKWAVLECFK-UHFFFAOYSA-N
XLogP0.15
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid (CID 43618751) is 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1ccc(=O)n(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is QCKRBKWAVLECFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-7-12(2,11(18)19)13-10(17)8-5-6-9(16)15(3)14-8/h5-6H,4,7H2,1-3H3,(H,13,17)(H,18,19).
What are the key properties of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43618751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).