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

C10H13N3O5 — CID 62675327

IUPAC3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6(10(17)18)4-11-8(15)5-13-9(16)3-2-7(14)12-13/h2-3,6H,4-5H2,1H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyICNVCVMTFRRULX-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.63
Rot. Bonds5

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

3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62675327) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID62675327
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6(10(17)18)4-11-8(15)5-13-9(16)3-2-7(14)12-13/h2-3,6H,4-5H2,1H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyICNVCVMTFRRULX-UHFFFAOYSA-N
XLogP-1.63
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 543990
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
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43170711
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]amino]butanoic acid
CID 43469221
methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoate
CID 54978349
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008304
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methylpropyl)acetamide
CID 60636934

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid (CID 62675327) is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid is CC(CNC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is ICNVCVMTFRRULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(10(17)18)4-11-8(15)5-13-9(16)3-2-7(14)12-13/h2-3,6H,4-5H2,1H3,(H,11,15)(H,12,14)(H,17,18).
What are the key properties of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid?
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).