4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid

C12H20N4O4 — CID 5295186

IUPAC4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
SMILESCCN1C(=O)N(CC)C2C1NC(=O)N2CCCC(=O)O
InChIInChI=1S/C12H20N4O4/c1-3-14-9-10(15(4-2)12(14)20)16(11(19)13-9)7-5-6-8(17)18/h9-10H,3-7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyCWUIVCYEYOLPJE-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.31
Rot. Bonds6

About 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid

4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid (PubChem CID 5295186) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
PubChem CID5295186
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
SMILESCCN1C(=O)N(CC)C2C1NC(=O)N2CCCC(=O)O
InChIInChI=1S/C12H20N4O4/c1-3-14-9-10(15(4-2)12(14)20)16(11(19)13-9)7-5-6-8(17)18/h9-10H,3-7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyCWUIVCYEYOLPJE-UHFFFAOYSA-N
XLogP0.31
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The IUPAC name of 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid (CID 5295186) is 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid is CCN1C(=O)N(CC)C2C1NC(=O)N2CCCC(=O)O.
What is the InChIKey of 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The InChIKey is CWUIVCYEYOLPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-3-14-9-10(15(4-2)12(14)20)16(11(19)13-9)7-5-6-8(17)18/h9-10H,3-7H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid is sourced from PubChem (CID 5295186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).