tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate

C13H19N3O4 — CID 81003471

IUPACtert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19N3O4/c1-8(12(19)20-13(2,3)4)14-11(18)9-6-7-10(17)16(5)15-9/h6-8H,1-5H3,(H,14,18)/t8-/m1/s1
InChIKeyOFJNUTYDJSFNRT-MRVPVSSYSA-N
MW281.31 g/mol
LogP0.24
Rot. Bonds3

About tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate

tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate (PubChem CID 81003471) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
PubChem CID81003471
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nametert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19N3O4/c1-8(12(19)20-13(2,3)4)14-11(18)9-6-7-10(17)16(5)15-9/h6-8H,1-5H3,(H,14,18)/t8-/m1/s1
InChIKeyOFJNUTYDJSFNRT-MRVPVSSYSA-N
XLogP0.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate (CID 81003471) is tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate is C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate?
The InChIKey is OFJNUTYDJSFNRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(12(19)20-13(2,3)4)14-11(18)9-6-7-10(17)16(5)15-9/h6-8H,1-5H3,(H,14,18)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate?
tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate has a molecular weight of 281.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 81003471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).