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

C12H17N3O5 — CID 43170012

IUPAC6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H17N3O5/c16-9-5-6-11(18)15(14-9)8-10(17)13-7-3-1-2-4-12(19)20/h5-6H,1-4,7-8H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyRMCKSODWBXKZII-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.70
Rot. Bonds8

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

6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid (PubChem CID 43170012) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
PubChem CID43170012
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H17N3O5/c16-9-5-6-11(18)15(14-9)8-10(17)13-7-3-1-2-4-12(19)20/h5-6H,1-4,7-8H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyRMCKSODWBXKZII-UHFFFAOYSA-N
XLogP-0.70
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

6-[6-[Prop-2-enoyl-(prop-2-enoylamino)amino]hexanoylamino]hexanoic acid
CID 139983264
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43170711
7-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]heptanoic acid
CID 43172044
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 43355959
1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360213
methyl 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoate
CID 43404531
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 43469656
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanoic acid
CID 43630713
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371085
5-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanoic acid
CID 64060508
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanoic acid
CID 64094459
6-(3,6-dioxo-1H-pyridazin-2-yl)hexanoic acid
CID 64299046

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid (CID 43170012) is 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid?
The InChIKey is RMCKSODWBXKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9-5-6-11(18)15(14-9)8-10(17)13-7-3-1-2-4-12(19)20/h5-6H,1-4,7-8H2,(H,13,17)(H,14,16)(H,19,20).
What are the key properties of 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid?
6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43170012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).