4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid

C11H15N3O6 — CID 103153152

IUPAC4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)Cn1[nH]c(=O)ccc1=O)CC(=O)O
InChIInChI=1S/C11H15N3O6/c1-20-7(4-11(18)19)5-12-9(16)6-14-10(17)3-2-8(15)13-14/h2-3,7H,4-6H2,1H3,(H,12,16)(H,13,15)(H,18,19)
InChIKeyYZFRRTTXDJWVJQ-UHFFFAOYSA-N
MW285.26 g/mol
LogP-1.86
Rot. Bonds7

About 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid

4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid (PubChem CID 103153152) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid
PubChem CID103153152
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)Cn1[nH]c(=O)ccc1=O)CC(=O)O
InChIInChI=1S/C11H15N3O6/c1-20-7(4-11(18)19)5-12-9(16)6-14-10(17)3-2-8(15)13-14/h2-3,7H,4-6H2,1H3,(H,12,16)(H,13,15)(H,18,19)
InChIKeyYZFRRTTXDJWVJQ-UHFFFAOYSA-N
XLogP-1.86
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid (CID 103153152) is 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)Cn1[nH]c(=O)ccc1=O)CC(=O)O.
What is the InChIKey of 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid?
The InChIKey is YZFRRTTXDJWVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-20-7(4-11(18)19)5-12-9(16)6-14-10(17)3-2-8(15)13-14/h2-3,7H,4-6H2,1H3,(H,12,16)(H,13,15)(H,18,19).
What are the key properties of 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid?
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid has a molecular weight of 285.26 g/mol, XLogP of -1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103153152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).