4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid

C9H14N2O4 — CID 82776513

IUPAC4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
SMILESCCn1ccn(CC(O)CC(=O)O)c1=O
InChIInChI=1S/C9H14N2O4/c1-2-10-3-4-11(9(10)15)6-7(12)5-8(13)14/h3-4,7,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyOSEKAXFWFMZHER-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.49
Rot. Bonds5

About 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid

4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid (PubChem CID 82776513) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
PubChem CID82776513
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
SMILESCCn1ccn(CC(O)CC(=O)O)c1=O
InChIInChI=1S/C9H14N2O4/c1-2-10-3-4-11(9(10)15)6-7(12)5-8(13)14/h3-4,7,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyOSEKAXFWFMZHER-UHFFFAOYSA-N
XLogP-0.49
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
CID 82776514
3-Hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoic acid
CID 82776745
Ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate
CID 82776746
3-Hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid
CID 82777006
Ethyl 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoate
CID 82777007
3-Hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid
CID 82777275
Ethyl 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoate
CID 82777276
4-(3-Cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
CID 82777555
Ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
CID 82777556
3-methoxy-4-(2-oxo-1H-imidazol-3-yl)butanoic acid
CID 103157503

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid (CID 82776513) is 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid is CCn1ccn(CC(O)CC(=O)O)c1=O.
What is the InChIKey of 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
The InChIKey is OSEKAXFWFMZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-10-3-4-11(9(10)15)6-7(12)5-8(13)14/h3-4,7,12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid is sourced from PubChem (CID 82776513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).