4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid

C14H18N2O3 — CID 117410285

IUPAC4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccccc2CCCC(=O)O)C1=O
InChIInChI=1S/C14H18N2O3/c1-15-9-10-16(14(15)19)12-7-3-2-5-11(12)6-4-8-13(17)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,17,18)
InChIKeyLIARQDKFVDJHHF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.97
Rot. Bonds5

About 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid

4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (PubChem CID 117410285) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
PubChem CID117410285
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccccc2CCCC(=O)O)C1=O
InChIInChI=1S/C14H18N2O3/c1-15-9-10-16(14(15)19)12-7-3-2-5-11(12)6-4-8-13(17)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,17,18)
InChIKeyLIARQDKFVDJHHF-UHFFFAOYSA-N
XLogP1.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (CID 117410285) is 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is CN1CCN(c2ccccc2CCCC(=O)O)C1=O.
What is the InChIKey of 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The InChIKey is LIARQDKFVDJHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-9-10-16(14(15)19)12-7-3-2-5-11(12)6-4-8-13(17)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,17,18).
What are the key properties of 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 117410285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).