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

C10H14N2O4 — CID 82777555

IUPAC4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H14N2O4/c13-8(5-9(14)15)6-11-3-4-12(10(11)16)7-1-2-7/h3-4,7-8,13H,1-2,5-6H2,(H,14,15)
InChIKeyPSMSFBXYFXPFBE-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.18
Rot. Bonds5

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

4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid (PubChem CID 82777555) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
PubChem CID82777555
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H14N2O4/c13-8(5-9(14)15)6-11-3-4-12(10(11)16)7-1-2-7/h3-4,7-8,13H,1-2,5-6H2,(H,14,15)
InChIKeyPSMSFBXYFXPFBE-UHFFFAOYSA-N
XLogP-0.18
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid (CID 82777555) is 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid is O=C(O)CC(O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
The InChIKey is PSMSFBXYFXPFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8(5-9(14)15)6-11-3-4-12(10(11)16)7-1-2-7/h3-4,7-8,13H,1-2,5-6H2,(H,14,15).
What are the key properties of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid?
4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid is sourced from PubChem (CID 82777555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).