5-imidazol-1-yloxypentanoic acid

C8H12N2O3 — CID 3613715

IUPAC5-imidazol-1-yloxypentanoic acid
SMILESO=C(O)CCCCOn1ccnc1
InChIInChI=1S/C8H12N2O3/c11-8(12)3-1-2-6-13-10-5-4-9-7-10/h4-5,7H,1-3,6H2,(H,11,12)
InChIKeyJULAFOKTTRWDGR-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.57
Rot. Bonds6

About 5-imidazol-1-yloxypentanoic acid

5-imidazol-1-yloxypentanoic acid (PubChem CID 3613715) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-imidazol-1-yloxypentanoic acid.

Molecular Properties

Compound Name5-imidazol-1-yloxypentanoic acid
PubChem CID3613715
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name5-imidazol-1-yloxypentanoic acid
SMILESO=C(O)CCCCOn1ccnc1
InChIInChI=1S/C8H12N2O3/c11-8(12)3-1-2-6-13-10-5-4-9-7-10/h4-5,7H,1-3,6H2,(H,11,12)
InChIKeyJULAFOKTTRWDGR-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-imidazol-1-yloxybutanoic acid
CID 175506459
5-pyrrol-1-yloxypentanoic acid
CID 69470747
1-butoxyimidazole
CID 89011034
1-(4-methylpentoxy)imidazole
CID 67927099
imidazol-1-yl heptanoate
CID 175410491
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yloxymethanol
CID 155678354
4-fluorobutanoic acid;1-methylimidazole
CID 175040811
butanedioic acid;1-methylimidazole
CID 158507088
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
5-[(2-imidazol-1-yl-1-phenylpropylidene)amino]oxypentanoic acid
CID 85079634

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yloxypentanoic acid?
The IUPAC name of 5-imidazol-1-yloxypentanoic acid (CID 3613715) is 5-imidazol-1-yloxypentanoic acid.
What is the SMILES notation for 5-imidazol-1-yloxypentanoic acid?
The canonical SMILES for 5-imidazol-1-yloxypentanoic acid is O=C(O)CCCCOn1ccnc1.
What is the InChIKey of 5-imidazol-1-yloxypentanoic acid?
The InChIKey is JULAFOKTTRWDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-8(12)3-1-2-6-13-10-5-4-9-7-10/h4-5,7H,1-3,6H2,(H,11,12).
What are the key properties of 5-imidazol-1-yloxypentanoic acid?
5-imidazol-1-yloxypentanoic acid has a molecular weight of 184.20 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yloxypentanoic acid is sourced from PubChem (CID 3613715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).