(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid

C11H14N4O5 — CID 63715213

IUPAC(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)N[C@@H](CC(N)=O)C(=O)O)c1C
InChIInChI=1S/C11H14N4O5/c1-4-5(2)14-15-10(18)8(4)9(17)13-6(11(19)20)3-7(12)16/h6H,3H2,1-2H3,(H2,12,16)(H,13,17)(H,15,18)(H,19,20)/t6-/m0/s1
InChIKeyOOCCKYRKFAIXGK-LURJTMIESA-N
MW282.26 g/mol
LogP-1.55
Rot. Bonds5

About (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 63715213) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
PubChem CID63715213
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)N[C@@H](CC(N)=O)C(=O)O)c1C
InChIInChI=1S/C11H14N4O5/c1-4-5(2)14-15-10(18)8(4)9(17)13-6(11(19)20)3-7(12)16/h6H,3H2,1-2H3,(H2,12,16)(H,13,17)(H,15,18)(H,19,20)/t6-/m0/s1
InChIKeyOOCCKYRKFAIXGK-LURJTMIESA-N
XLogP-1.55
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357881
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
CID 43630854
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
CID 81085336
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
(2R)-4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821364
N-(1-hydroxy-4-methylpentan-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103782323
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
CID 106107384
(2S)-4-amino-2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110836459
2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351
(2S)-4-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 64519063

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid (CID 63715213) is (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid is Cc1n[nH]c(=O)c(C(=O)N[C@@H](CC(N)=O)C(=O)O)c1C.
What is the InChIKey of (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is OOCCKYRKFAIXGK-LURJTMIESA-N. The full InChI is InChI=1S/C11H14N4O5/c1-4-5(2)14-15-10(18)8(4)9(17)13-6(11(19)20)3-7(12)16/h6H,3H2,1-2H3,(H2,12,16)(H,13,17)(H,15,18)(H,19,20)/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 282.26 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 63715213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).