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

C10H16N2O4 — CID 82777006

IUPAC3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid
SMILESCCCn1ccn(CC(O)CC(=O)O)c1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-11-4-5-12(10(11)16)7-8(13)6-9(14)15/h4-5,8,13H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyUUMMHKUJLNXSGK-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.10
Rot. Bonds6

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

3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid (PubChem CID 82777006) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid
PubChem CID82777006
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid
SMILESCCCn1ccn(CC(O)CC(=O)O)c1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-11-4-5-12(10(11)16)7-8(13)6-9(14)15/h4-5,8,13H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyUUMMHKUJLNXSGK-UHFFFAOYSA-N
XLogP-0.10
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.10
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-propylimidazol-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid (CID 82777006) is 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid is CCCn1ccn(CC(O)CC(=O)O)c1=O.
What is the InChIKey of 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid?
The InChIKey is UUMMHKUJLNXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-11-4-5-12(10(11)16)7-8(13)6-9(14)15/h4-5,8,13H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid?
3-hydroxy-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.10, 6 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-propylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 82777006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).