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

C9H11N3O5 — CID 43170623

IUPAC3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N3O5/c13-6-1-2-8(15)12(11-6)5-7(14)10-4-3-9(16)17/h1-2H,3-5H2,(H,10,14)(H,11,13)(H,16,17)
InChIKeyQFBSBRROMKPZIW-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.87
Rot. Bonds5

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

3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid (PubChem CID 43170623) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
PubChem CID43170623
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N3O5/c13-6-1-2-8(15)12(11-6)5-7(14)10-4-3-9(16)17/h1-2H,3-5H2,(H,10,14)(H,11,13)(H,16,17)
InChIKeyQFBSBRROMKPZIW-UHFFFAOYSA-N
XLogP-1.87
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

3-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 543990
3-(2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)propanoic acid
CID 121412820
3-[2-[2-(2,5-Dioxopyrrol-1-yl)ethyl]hydrazinyl]propanoic acid
CID 162720754
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-[[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-(3-hydroxypropyl)acetamide
CID 43500367
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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid (CID 43170623) is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The InChIKey is QFBSBRROMKPZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-6-1-2-8(15)12(11-6)5-7(14)10-4-3-9(16)17/h1-2H,3-5H2,(H,10,14)(H,11,13)(H,16,17).
What are the key properties of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
3-[[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, 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]propanoic acid is sourced from PubChem (CID 43170623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).