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

C9H11N3O6 — CID 43357564

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC(CO)C(=O)O
InChIInChI=1S/C9H11N3O6/c13-4-5(9(17)18)10-7(15)3-12-8(16)2-1-6(14)11-12/h1-2,5,13H,3-4H2,(H,10,15)(H,11,14)(H,17,18)
InChIKeyRJAARMRJRSWNGD-UHFFFAOYSA-N
MW257.20 g/mol
LogP-2.90
Rot. Bonds5

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 43357564) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID43357564
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC(CO)C(=O)O
InChIInChI=1S/C9H11N3O6/c13-4-5(9(17)18)10-7(15)3-12-8(16)2-1-6(14)11-12/h1-2,5,13H,3-4H2,(H,10,15)(H,11,14)(H,17,18)
InChIKeyRJAARMRJRSWNGD-UHFFFAOYSA-N
XLogP-2.90
TPSA141.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-2.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 121412808
2-[[2-(2,5-Dioxopyrrol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 137440126
(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 156867870
3-Hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 166760821
(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-3-hydroxypropanoic acid
CID 176336377
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]-3-hydroxybutanoic acid
CID 43353579
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 43407115
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-hydroxybutan-2-yl)acetamide
CID 43500440

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid (CID 43357564) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid is O=C(Cn1[nH]c(=O)ccc1=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is RJAARMRJRSWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6/c13-4-5(9(17)18)10-7(15)3-12-8(16)2-1-6(14)11-12/h1-2,5,13H,3-4H2,(H,10,15)(H,11,14)(H,17,18).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 257.20 g/mol, XLogP of -2.90, 5 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]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).