3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid

C8H9N3O2 — CID 82409719

IUPAC3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid
SMILESO=C(O)CCc1cn2ccnc2[nH]1
InChIInChI=1S/C8H9N3O2/c12-7(13)2-1-6-5-11-4-3-9-8(11)10-6/h3-5H,1-2H2,(H,9,10)(H,12,13)
InChIKeyDYTAHXHAWBKEIU-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.68
Rot. Bonds3

About 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid

3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid (PubChem CID 82409719) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid
PubChem CID82409719
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid
SMILESO=C(O)CCc1cn2ccnc2[nH]1
InChIInChI=1S/C8H9N3O2/c12-7(13)2-1-6-5-11-4-3-9-8(11)10-6/h3-5H,1-2H2,(H,9,10)(H,12,13)
InChIKeyDYTAHXHAWBKEIU-UHFFFAOYSA-N
XLogP0.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid
CID 82399636
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84645039
3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84643554
3-(1-tert-butylimidazol-2-yl)propanoic acid
CID 83879918
4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid
CID 118498548
3-[4-(6-methylimidazo[1,2-a]pyridin-8-yl)phenyl]propanoic acid
CID 167931434
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
3-(1H-imidazol-2-yl)propanoic acid;dihydrochloride
CID 70511103
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83846166

Frequently Asked Questions

What is the IUPAC name of 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid?
The IUPAC name of 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid (CID 82409719) is 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid.
What is the SMILES notation for 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid?
The canonical SMILES for 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid is O=C(O)CCc1cn2ccnc2[nH]1.
What is the InChIKey of 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid?
The InChIKey is DYTAHXHAWBKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-7(13)2-1-6-5-11-4-3-9-8(11)10-6/h3-5H,1-2H2,(H,9,10)(H,12,13).
What are the key properties of 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid?
3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid has a molecular weight of 179.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid is sourced from PubChem (CID 82409719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).