2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid

C10H13N3O5 — CID 61262285

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-10(2,9(17)18)11-7(15)5-13-8(16)4-3-6(14)12-13/h3-4H,5H2,1-2H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyACCZIABXRZWARL-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.48
Rot. Bonds4

About 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61262285) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID61262285
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-10(2,9(17)18)11-7(15)5-13-8(16)4-3-6(14)12-13/h3-4H,5H2,1-2H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyACCZIABXRZWARL-UHFFFAOYSA-N
XLogP-1.48
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788579
2-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoic acid
CID 16787150
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 43170362
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43172649
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357564
2-[[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465285
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467397
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43469221

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid (CID 61262285) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is ACCZIABXRZWARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-10(2,9(17)18)11-7(15)5-13-8(16)4-3-6(14)12-13/h3-4H,5H2,1-2H3,(H,11,15)(H,12,14)(H,17,18).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61262285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).