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

C10H13N3O5 — CID 62626381

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-6(10(17)18)12(2)9(16)5-13-8(15)4-3-7(14)11-13/h3-4,6H,5H2,1-2H3,(H,11,14)(H,17,18)
InChIKeyLVSDVXZHDHYKGM-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.53
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid (PubChem CID 62626381) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid
PubChem CID62626381
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-6(10(17)18)12(2)9(16)5-13-8(15)4-3-7(14)11-13/h3-4,6H,5H2,1-2H3,(H,11,14)(H,17,18)
InChIKeyLVSDVXZHDHYKGM-UHFFFAOYSA-N
XLogP-1.53
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265081
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788579
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]-3-methylbutanoic acid
CID 43170362
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-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357564
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid (CID 62626381) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is LVSDVXZHDHYKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(10(17)18)12(2)9(16)5-13-8(15)4-3-7(14)11-13/h3-4,6H,5H2,1-2H3,(H,11,14)(H,17,18).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 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]-methylamino]propanoic acid is sourced from PubChem (CID 62626381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).