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

C11H15N3O5 — CID 62817219

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cn1[nH]c(=O)ccc1=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,10(18)19)13(3)9(17)6-14-8(16)5-4-7(15)12-14/h4-5H,6H2,1-3H3,(H,12,15)(H,18,19)
InChIKeyKWNDNLVTRJZYSH-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.14
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62817219) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID62817219
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cn1[nH]c(=O)ccc1=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,10(18)19)13(3)9(17)6-14-8(16)5-4-7(15)12-14/h4-5H,6H2,1-3H3,(H,12,15)(H,18,19)
InChIKeyKWNDNLVTRJZYSH-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265081
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
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
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
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 43407597
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]butanoic acid
CID 43469221
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500745
2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43655404

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 62817219) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)Cn1[nH]c(=O)ccc1=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is KWNDNLVTRJZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,10(18)19)13(3)9(17)6-14-8(16)5-4-7(15)12-14/h4-5H,6H2,1-3H3,(H,12,15)(H,18,19).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 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]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62817219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).