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

C10H16N4O4 — CID 16763409

IUPAC2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)NC2C1N(C)C(=O)N2C
InChIInChI=1S/C10H16N4O4/c1-4-5(8(15)16)14-7-6(11-9(14)17)12(2)10(18)13(7)3/h5-7H,4H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyWCZAJXBDDXKDGX-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.48
Rot. Bonds3

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

2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid (PubChem CID 16763409) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
PubChem CID16763409
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)NC2C1N(C)C(=O)N2C
InChIInChI=1S/C10H16N4O4/c1-4-5(8(15)16)14-7-6(11-9(14)17)12(2)10(18)13(7)3/h5-7H,4H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyWCZAJXBDDXKDGX-UHFFFAOYSA-N
XLogP-0.48
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The IUPAC name of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid (CID 16763409) is 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The canonical SMILES for 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid is CCC(C(=O)O)N1C(=O)NC2C1N(C)C(=O)N2C.
What is the InChIKey of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The InChIKey is WCZAJXBDDXKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-4-5(8(15)16)14-7-6(11-9(14)17)12(2)10(18)13(7)3/h5-7H,4H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid is sourced from PubChem (CID 16763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).