methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate

C12H17N3O3 — CID 166316313

IUPACmethyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate
SMILESCC[C@@H](C(=O)OC)N(C)C(=O)c1nnccc1C
InChIInChI=1S/C12H17N3O3/c1-5-9(12(17)18-4)15(3)11(16)10-8(2)6-7-13-14-10/h6-7,9H,5H2,1-4H3/t9-/m0/s1
InChIKeyYWIRGYSHUQXNPK-VIFPVBQESA-N
MW251.29 g/mol
LogP0.81
Rot. Bonds4

About methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate

methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate (PubChem CID 166316313) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate
PubChem CID166316313
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate
SMILESCC[C@@H](C(=O)OC)N(C)C(=O)c1nnccc1C
InChIInChI=1S/C12H17N3O3/c1-5-9(12(17)18-4)15(3)11(16)10-8(2)6-7-13-14-10/h6-7,9H,5H2,1-4H3/t9-/m0/s1
InChIKeyYWIRGYSHUQXNPK-VIFPVBQESA-N
XLogP0.81
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(3-fluorophenyl)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]acetate
CID 166342391
3-[Methyl(pyridazine-3-carbonyl)amino]propanoic acid
CID 53751966
N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide
CID 58780742
Azepan-1-yl-(5-ethylpyridazin-3-yl)methanone
CID 59382392
N-butan-2-yl-N-propylpyridazine-3-carboxamide
CID 71221896
N-(4-hydroxy-3,3-dimethylbutyl)-N-methylpyridazine-3-carboxamide
CID 90456816
(4-Methylpiperidin-1-yl)-pyridazin-3-ylmethanone
CID 110849047
Morpholin-4-yl(pyridazin-3-yl)methanone
CID 110849347
N,N-diethylpyridazine-3-carboxamide
CID 110855157
7-Propan-2-ylpyridazino[4,5-c]pyridazin-8-one
CID 122696637
N-[2-(6-tert-butylcyclohexa-1,3-dien-1-yl)oxyethyl]-N-methylpyridazine-3-carboxamide
CID 123268275
4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
CID 134505704

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate (CID 166316313) is methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate is CC[C@@H](C(=O)OC)N(C)C(=O)c1nnccc1C.
What is the InChIKey of methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate?
The InChIKey is YWIRGYSHUQXNPK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O3/c1-5-9(12(17)18-4)15(3)11(16)10-8(2)6-7-13-14-10/h6-7,9H,5H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate?
methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate has a molecular weight of 251.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-(4-methylpyridazine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 166316313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).