(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid

C14H20N4O3 — CID 119368696

IUPAC(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)O
InChIInChI=1S/C14H20N4O3/c1-9(2)12(14(20)21)15-13(19)10-5-6-11(17-16-10)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,19)(H,20,21)/t12-/m1/s1
InChIKeyZNJFUFUDBMPPCJ-GFCCVEGCSA-N
MW292.34 g/mol
LogP0.92
Rot. Bonds5

About (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 119368696) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
PubChem CID119368696
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)O
InChIInChI=1S/C14H20N4O3/c1-9(2)12(14(20)21)15-13(19)10-5-6-11(17-16-10)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,19)(H,20,21)/t12-/m1/s1
InChIKeyZNJFUFUDBMPPCJ-GFCCVEGCSA-N
XLogP0.92
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045089
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 138037708
6-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109117081
6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109116779
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid (CID 119368696) is (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is ZNJFUFUDBMPPCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)12(14(20)21)15-13(19)10-5-6-11(17-16-10)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119368696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).