(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid

C10H12N4O5 — CID 61142499

IUPAC(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)ccc1=O
InChIInChI=1S/C10H12N4O5/c1-14-8(16)3-2-5(13-14)9(17)12-6(10(18)19)4-7(11)15/h2-3,6H,4H2,1H3,(H2,11,15)(H,12,17)(H,18,19)/t6-/m0/s1
InChIKeyBGOSEWYEXUHPON-LURJTMIESA-N
MW268.23 g/mol
LogP-2.16
Rot. Bonds5

About (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 61142499) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
PubChem CID61142499
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)ccc1=O
InChIInChI=1S/C10H12N4O5/c1-14-8(16)3-2-5(13-14)9(17)12-6(10(18)19)4-7(11)15/h2-3,6H,4H2,1H3,(H2,11,15)(H,12,17)(H,18,19)/t6-/m0/s1
InChIKeyBGOSEWYEXUHPON-LURJTMIESA-N
XLogP-2.16
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid 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

(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
(2R)-4-amino-2-[(1-methylimidazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 107971770
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
(2S)-4-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110834843
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid (CID 61142499) is (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid is Cn1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)ccc1=O.
What is the InChIKey of (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is BGOSEWYEXUHPON-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N4O5/c1-14-8(16)3-2-5(13-14)9(17)12-6(10(18)19)4-7(11)15/h2-3,6H,4H2,1H3,(H2,11,15)(H,12,17)(H,18,19)/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 268.23 g/mol, XLogP of -2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 61142499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).