(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid

C16H19N3O4 — CID 129467697

IUPAC(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
SMILESC[C@@H](Cc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-10(16(22)23)9-11-3-5-12(6-4-11)17-15(21)13-7-8-14(20)19(2)18-13/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,22,23)/t10-/m0/s1
InChIKeyFPUZSSLMARHPIM-JTQLQIEISA-N
MW317.35 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid

(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 129467697) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID129467697
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
SMILESC[C@@H](Cc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-10(16(22)23)9-11-3-5-12(6-4-11)17-15(21)13-7-8-14(20)19(2)18-13/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,22,23)/t10-/m0/s1
InChIKeyFPUZSSLMARHPIM-JTQLQIEISA-N
XLogP1.50
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid with MolForge

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Related Compounds

2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
1-methyl-N-[4-(methylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24524831
2-methyl-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 119254235
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 80539041
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42315406
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61131453
(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61152190
(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
CID 61143499

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid (CID 129467697) is (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid is C[C@@H](Cc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is FPUZSSLMARHPIM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(16(22)23)9-11-3-5-12(6-4-11)17-15(21)13-7-8-14(20)19(2)18-13/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,22,23)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid?
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 129467697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).