3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid

C10H16N2O4 — CID 82777275

IUPAC3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid
SMILESCC(C)n1ccn(CC(O)CC(=O)O)c1=O
InChIInChI=1S/C10H16N2O4/c1-7(2)12-4-3-11(10(12)16)6-8(13)5-9(14)15/h3-4,7-8,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyDZGFGYJDEKEEFG-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.07
Rot. Bonds5

About 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid

3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid (PubChem CID 82777275) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid
PubChem CID82777275
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid
SMILESCC(C)n1ccn(CC(O)CC(=O)O)c1=O
InChIInChI=1S/C10H16N2O4/c1-7(2)12-4-3-11(10(12)16)6-8(13)5-9(14)15/h3-4,7-8,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyDZGFGYJDEKEEFG-UHFFFAOYSA-N
XLogP0.07
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid (CID 82777275) is 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid is CC(C)n1ccn(CC(O)CC(=O)O)c1=O.
What is the InChIKey of 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid?
The InChIKey is DZGFGYJDEKEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(2)12-4-3-11(10(12)16)6-8(13)5-9(14)15/h3-4,7-8,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid?
3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 82777275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).