4-imidazol-1-ylbutanoic acid

C7H10N2O2 — CID 3055390

IUPAC4-imidazol-1-ylbutanoic acid
SMILESO=C(O)CCCn1ccnc1
InChIInChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyZCWMZLARYIDEEZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.75
Rot. Bonds4

About 4-imidazol-1-ylbutanoic acid

4-imidazol-1-ylbutanoic acid (PubChem CID 3055390) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-imidazol-1-ylbutanoic acid.

Molecular Properties

Compound Name4-imidazol-1-ylbutanoic acid
PubChem CID3055390
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-imidazol-1-ylbutanoic acid
SMILESO=C(O)CCCn1ccnc1
InChIInChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyZCWMZLARYIDEEZ-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylbutanoic acid?
The IUPAC name of 4-imidazol-1-ylbutanoic acid (CID 3055390) is 4-imidazol-1-ylbutanoic acid.
What is the SMILES notation for 4-imidazol-1-ylbutanoic acid?
The canonical SMILES for 4-imidazol-1-ylbutanoic acid is O=C(O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-ylbutanoic acid?
The InChIKey is ZCWMZLARYIDEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11).
What are the key properties of 4-imidazol-1-ylbutanoic acid?
4-imidazol-1-ylbutanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbutanoic acid is sourced from PubChem (CID 3055390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).