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

C10H13N3O5 — CID 60637958

IUPACmethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-6(10(17)18-2)11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,6H,5H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyQVISYDLWHQIFBK-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.79
Rot. Bonds4

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

methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate (PubChem CID 60637958) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
PubChem CID60637958
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-6(10(17)18-2)11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,6H,5H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyQVISYDLWHQIFBK-UHFFFAOYSA-N
XLogP-1.79
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,N'-bis[(s)-1-methoxycarbonylethyl]fumaric diamide
CID 102252315
ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 28888360
Methyl 2-(3,6-dioxo-1,2-dihydropyridazinyl)acetate
CID 3375754
1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
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]amino]-3-hydroxypropanoic acid
CID 43357564
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
CID 43404707
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 43407115
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 43407597
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoate
CID 43422667
2-[[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465285

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate (CID 60637958) is methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The InChIKey is QVISYDLWHQIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(10(17)18-2)11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,6H,5H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate has a molecular weight of 255.23 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60637958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).