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

C11H13N3O7 — CID 60830974

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C11H13N3O7/c15-7-2-3-9(17)14(13-7)5-8(16)12-6(11(20)21)1-4-10(18)19/h2-3,6H,1,4-5H2,(H,12,16)(H,13,15)(H,18,19)(H,20,21)
InChIKeyQVBLUPCUEJVHLL-UHFFFAOYSA-N
MW299.24 g/mol
LogP-2.03
Rot. Bonds7

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid (PubChem CID 60830974) has the molecular formula C11H13N3O7 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid
PubChem CID60830974
Molecular FormulaC11H13N3O7
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C11H13N3O7/c15-7-2-3-9(17)14(13-7)5-8(16)12-6(11(20)21)1-4-10(18)19/h2-3,6H,1,4-5H2,(H,12,16)(H,13,15)(H,18,19)(H,20,21)
InChIKeyQVBLUPCUEJVHLL-UHFFFAOYSA-N
XLogP-2.03
TPSA158.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61152565
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 107363290
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
CID 108795013
(2S)-2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
CID 108795045
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 61151882
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]pentanedioic acid
CID 61142501
(2S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanedioic acid
CID 61151877
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid (CID 60830974) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid is O=C(O)CCC(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]pentanedioic acid?
The InChIKey is QVBLUPCUEJVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O7/c15-7-2-3-9(17)14(13-7)5-8(16)12-6(11(20)21)1-4-10(18)19/h2-3,6H,1,4-5H2,(H,12,16)(H,13,15)(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid has a molecular weight of 299.24 g/mol, XLogP of -2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 60830974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).