2-(1H-imidazol-2-yl)pentanoic acid

C8H12N2O2 — CID 122588172

IUPAC2-(1H-imidazol-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncc[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-3-6(8(11)12)7-9-4-5-10-7/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyZYAZOWVVTXFGEK-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.38
Rot. Bonds4

About 2-(1H-imidazol-2-yl)pentanoic acid

2-(1H-imidazol-2-yl)pentanoic acid (PubChem CID 122588172) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)pentanoic acid
PubChem CID122588172
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(1H-imidazol-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncc[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-3-6(8(11)12)7-9-4-5-10-7/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyZYAZOWVVTXFGEK-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-bromobutyl)-1H-imidazole
CID 19936731
2,2-bis(1H-imidazol-2-yl)acetic acid;hydrochloride
CID 156696952
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
2-hexan-2-yl-1H-imidazole
CID 54215570
disodium;2-(1H-imidazol-2-yl)butanedioate
CID 175716563
butyl 4-[1-(1H-imidazol-2-yl)butyl]benzoate
CID 69125328
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
2-(1H-1,2,4-triazol-5-yl)hexanoic acid
CID 142767992
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
(2S)-5-amino-2-[1-(1H-imidazol-2-yl)propylcarbamoylamino]-5-oxopentanoic acid
CID 104871726
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)pentanoic acid?
The IUPAC name of 2-(1H-imidazol-2-yl)pentanoic acid (CID 122588172) is 2-(1H-imidazol-2-yl)pentanoic acid.
What is the SMILES notation for 2-(1H-imidazol-2-yl)pentanoic acid?
The canonical SMILES for 2-(1H-imidazol-2-yl)pentanoic acid is CCCC(C(=O)O)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)pentanoic acid?
The InChIKey is ZYAZOWVVTXFGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-6(8(11)12)7-9-4-5-10-7/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(1H-imidazol-2-yl)pentanoic acid?
2-(1H-imidazol-2-yl)pentanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)pentanoic acid is sourced from PubChem (CID 122588172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).