4-(2-oxo-1H-imidazol-3-yl)butanoic acid

C7H10N2O3 — CID 82412574

IUPAC4-(2-oxo-1H-imidazol-3-yl)butanoic acid
SMILESO=C(O)CCCn1cc[nH]c1=O
InChIInChI=1S/C7H10N2O3/c10-6(11)2-1-4-9-5-3-8-7(9)12/h3,5H,1-2,4H2,(H,8,12)(H,10,11)
InChIKeyHQGSMZMHGZCZCQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.04
Rot. Bonds4

About 4-(2-oxo-1H-imidazol-3-yl)butanoic acid

4-(2-oxo-1H-imidazol-3-yl)butanoic acid (PubChem CID 82412574) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(2-oxo-1H-imidazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-1H-imidazol-3-yl)butanoic acid
PubChem CID82412574
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-(2-oxo-1H-imidazol-3-yl)butanoic acid
SMILESO=C(O)CCCn1cc[nH]c1=O
InChIInChI=1S/C7H10N2O3/c10-6(11)2-1-4-9-5-3-8-7(9)12/h3,5H,1-2,4H2,(H,8,12)(H,10,11)
InChIKeyHQGSMZMHGZCZCQ-UHFFFAOYSA-N
XLogP0.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-hydroxypentyl)-1H-imidazol-2-one
CID 107319623
3-[3-(dimethylamino)propyl]-1H-imidazol-2-one
CID 103125015
3-(3-methylsulfinylpropyl)-1H-imidazol-2-one
CID 103126017
3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
CID 103125486
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one
CID 174765688
3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one
CID 103125044
5-(3-hydroxy-2-oxo-1-pyridinyl)pentanoic acid
CID 10443125
3-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1H-imidazol-2-one
CID 118792971
4-(5-iodo-2-oxo-1,3-thiazol-3-yl)butanoic acid
CID 66222182
3-[3-(4-aminocyclohexyl)oxypropyl]-1H-imidazol-2-one
CID 103124841
3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
CID 103124813

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-1H-imidazol-3-yl)butanoic acid (CID 82412574) is 4-(2-oxo-1H-imidazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-1H-imidazol-3-yl)butanoic acid is O=C(O)CCCn1cc[nH]c1=O.
What is the InChIKey of 4-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The InChIKey is HQGSMZMHGZCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-6(11)2-1-4-9-5-3-8-7(9)12/h3,5H,1-2,4H2,(H,8,12)(H,10,11).
What are the key properties of 4-(2-oxo-1H-imidazol-3-yl)butanoic acid?
4-(2-oxo-1H-imidazol-3-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-imidazol-3-yl)butanoic acid is sourced from PubChem (CID 82412574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).