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

C14H18N2O3 — CID 82514270

IUPAC4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccc(CCCC(=O)O)cc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-15-9-10-16(14(15)19)12-7-5-11(6-8-12)3-2-4-13(17)18/h5-8H,2-4,9-10H2,1H3,(H,17,18)
InChIKeySIVUYXMAUROISB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.97
Rot. Bonds5

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

4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (PubChem CID 82514270) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
PubChem CID82514270
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccc(CCCC(=O)O)cc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-15-9-10-16(14(15)19)12-7-5-11(6-8-12)3-2-4-13(17)18/h5-8H,2-4,9-10H2,1H3,(H,17,18)
InChIKeySIVUYXMAUROISB-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-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (CID 82514270) is 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is CN1CCN(c2ccc(CCCC(=O)O)cc2)C1=O.
What is the InChIKey of 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The InChIKey is SIVUYXMAUROISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-9-10-16(14(15)19)12-7-5-11(6-8-12)3-2-4-13(17)18/h5-8H,2-4,9-10H2,1H3,(H,17,18).
What are the key properties of 4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
4-[4-(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-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 82514270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).