2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid

C12H14N2O3 — CID 23154771

IUPAC2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-8(11(15)16)9-2-4-10(5-3-9)14-7-6-13-12(14)17/h2-5,8H,6-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFLXCGTWVQWLOGY-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.40
Rot. Bonds3

About 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid

2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid (PubChem CID 23154771) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
PubChem CID23154771
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-8(11(15)16)9-2-4-10(5-3-9)14-7-6-13-12(14)17/h2-5,8H,6-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFLXCGTWVQWLOGY-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid (CID 23154771) is 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The InChIKey is FLXCGTWVQWLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(11(15)16)9-2-4-10(5-3-9)14-7-6-13-12(14)17/h2-5,8H,6-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 23154771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).