tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate

C14H23N3O4 — CID 80997639

IUPACtert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
SMILESCC(C)[C@@H](NC(=O)C1=NNC(=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O4/c1-8(2)11(13(20)21-14(3,4)5)15-12(19)9-6-7-10(18)17-16-9/h8,11H,6-7H2,1-5H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyDQRZSWYGMWAULF-LLVKDONJSA-N
MW297.36 g/mol
LogP0.73
Rot. Bonds4

About tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate

tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate (PubChem CID 80997639) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
PubChem CID80997639
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
SMILESCC(C)[C@@H](NC(=O)C1=NNC(=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O4/c1-8(2)11(13(20)21-14(3,4)5)15-12(19)9-6-7-10(18)17-16-9/h8,11H,6-7H2,1-5H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyDQRZSWYGMWAULF-LLVKDONJSA-N
XLogP0.73
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213
N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43398155
tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
CID 80997627
2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 61261887
tert-butyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
CID 80703086
tert-butyl (2S)-3-methyl-2-(pyrimidine-5-carbonylamino)butanoate
CID 104626655
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
tert-butyl (2S)-3-methyl-2-[[10-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4-carbonyl]amino]butanoate
CID 10438310
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl (2S)-3-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 80707602
N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115665075

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate (CID 80997639) is tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate is CC(C)[C@@H](NC(=O)C1=NNC(=O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
The InChIKey is DQRZSWYGMWAULF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8(2)11(13(20)21-14(3,4)5)15-12(19)9-6-7-10(18)17-16-9/h8,11H,6-7H2,1-5H3,(H,15,19)(H,17,18)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate has a molecular weight of 297.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 80997639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).