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

C10H13N3O5 — CID 60637077

IUPACmethyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-18-10(17)4-5-11-8(15)6-13-9(16)3-2-7(14)12-13/h2-3H,4-6H2,1H3,(H,11,15)(H,12,14)
InChIKeyCCEHSRDEOHLYIC-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.78
Rot. Bonds5

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

methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate (PubChem CID 60637077) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
PubChem CID60637077
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-18-10(17)4-5-11-8(15)6-13-9(16)3-2-7(14)12-13/h2-3H,4-6H2,1H3,(H,11,15)(H,12,14)
InChIKeyCCEHSRDEOHLYIC-UHFFFAOYSA-N
XLogP-1.78
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 17607782
ethyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 17607783
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43172649
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]-methylamino]acetate
CID 43407597
methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoate
CID 54978349
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
CID 54979455
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008304
ethyl 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoate
CID 60637313
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide
CID 60637763
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
CID 60637958

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate (CID 60637077) is methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate is COC(=O)CCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The InChIKey is CCEHSRDEOHLYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-10(17)4-5-11-8(15)6-13-9(16)3-2-7(14)12-13/h2-3H,4-6H2,1H3,(H,11,15)(H,12,14).
What are the key properties of methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate has a molecular weight of 255.23 g/mol, XLogP of -1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60637077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).