4-imidazol-1-yloxybutanoic acid

C7H10N2O3 — CID 175506459

IUPAC4-imidazol-1-yloxybutanoic acid
SMILESO=C(O)CCCOn1ccnc1
InChIInChI=1S/C7H10N2O3/c10-7(11)2-1-5-12-9-4-3-8-6-9/h3-4,6H,1-2,5H2,(H,10,11)
InChIKeyTVSWMDADHBOUIV-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.18
Rot. Bonds5

About 4-imidazol-1-yloxybutanoic acid

4-imidazol-1-yloxybutanoic acid (PubChem CID 175506459) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-imidazol-1-yloxybutanoic acid.

Molecular Properties

Compound Name4-imidazol-1-yloxybutanoic acid
PubChem CID175506459
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-imidazol-1-yloxybutanoic acid
SMILESO=C(O)CCCOn1ccnc1
InChIInChI=1S/C7H10N2O3/c10-7(11)2-1-5-12-9-4-3-8-6-9/h3-4,6H,1-2,5H2,(H,10,11)
InChIKeyTVSWMDADHBOUIV-UHFFFAOYSA-N
XLogP0.18
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-imidazol-1-yloxybutanoic 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

5-imidazol-1-yloxypentanoic acid
CID 3613715
1-butoxyimidazole
CID 89011034
5-pyrrol-1-yloxypentanoic acid
CID 69470747
1-(4-methylpentoxy)imidazole
CID 67927099
imidazol-1-yloxymethanol
CID 155678354
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl heptanoate
CID 175410491
imidazol-1-yl hexanoate;iron
CID 175419360
4-fluorobutanoic acid;1-methylimidazole
CID 175040811
butanedioic acid;1-methylimidazole
CID 158507088
(2S)-2-imidazol-1-yloxycarbonyl-3-methylbutanoic acid
CID 67801595
ethyl imidazol-1-yl carbonate
CID 174735954

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yloxybutanoic acid?
The IUPAC name of 4-imidazol-1-yloxybutanoic acid (CID 175506459) is 4-imidazol-1-yloxybutanoic acid.
What is the SMILES notation for 4-imidazol-1-yloxybutanoic acid?
The canonical SMILES for 4-imidazol-1-yloxybutanoic acid is O=C(O)CCCOn1ccnc1.
What is the InChIKey of 4-imidazol-1-yloxybutanoic acid?
The InChIKey is TVSWMDADHBOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-7(11)2-1-5-12-9-4-3-8-6-9/h3-4,6H,1-2,5H2,(H,10,11).
What are the key properties of 4-imidazol-1-yloxybutanoic acid?
4-imidazol-1-yloxybutanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yloxybutanoic acid is sourced from PubChem (CID 175506459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).