tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate

C14H21N3O3 — CID 103881073

IUPACtert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
SMILESCc1cc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c(C)nn1
InChIInChI=1S/C14H21N3O3/c1-8-7-11(9(2)17-16-8)12(18)15-10(3)13(19)20-14(4,5)6/h7,10H,1-6H3,(H,15,18)/t10-/m0/s1
InChIKeyAZPCMUDHTNBXRW-JTQLQIEISA-N
MW279.34 g/mol
LogP1.55
Rot. Bonds3

About tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate

tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate (PubChem CID 103881073) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
PubChem CID103881073
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
SMILESCc1cc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c(C)nn1
InChIInChI=1S/C14H21N3O3/c1-8-7-11(9(2)17-16-8)12(18)15-10(3)13(19)20-14(4,5)6/h7,10H,1-6H3,(H,15,18)/t10-/m0/s1
InChIKeyAZPCMUDHTNBXRW-JTQLQIEISA-N
XLogP1.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
CID 81003388
tert-butyl (2S)-2-[(2,5-dihydroxybenzoyl)amino]propanoate
CID 107725397
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906
N-(1-bromo-3-methylbutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104672746

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate (CID 103881073) is tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate is Cc1cc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c(C)nn1.
What is the InChIKey of tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
The InChIKey is AZPCMUDHTNBXRW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-7-11(9(2)17-16-8)12(18)15-10(3)13(19)20-14(4,5)6/h7,10H,1-6H3,(H,15,18)/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103881073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).