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

C9H11N3O5 — CID 43170800

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-5(9(16)17)10-7(14)4-12-8(15)3-2-6(13)11-12/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)(H,16,17)
InChIKeyIDBMNGIFWCTCBC-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.87
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid (PubChem CID 43170800) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
PubChem CID43170800
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-5(9(16)17)10-7(14)4-12-8(15)3-2-6(13)11-12/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)(H,16,17)
InChIKeyIDBMNGIFWCTCBC-UHFFFAOYSA-N
XLogP-1.87
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
Fumaryldialanin
CID 129641676
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788579
2-[2-(Prop-2-enoylamino)propanoylamino]propanoic acid
CID 139812828
(2S)-2-[2-(prop-2-enoylamino)propanoylamino]propanoic acid
CID 139812829
(2S)-2-[[(2S)-2-[deuterio(prop-2-enoyl)amino]propanoyl]amino]propanoic acid
CID 139812830
(2S)-2-[[(2S)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 139812831
(2S)-2-[[(2S)-2-(3-deuterioprop-2-enoylamino)propanoyl]amino]propanoic acid
CID 139812838
2-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
(2S)-2-[[2-(prop-2-enoylamino)acetyl]amino]propanoic acid
CID 178604741
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]-4-methylsulfanylbutanoic acid
CID 43170189

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid (CID 43170800) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid is CC(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]propanoic acid?
The InChIKey is IDBMNGIFWCTCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-5(9(16)17)10-7(14)4-12-8(15)3-2-6(13)11-12/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)(H,16,17).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.87, 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]propanoic acid is sourced from PubChem (CID 43170800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).