3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid

C13H15BrN2O3 — CID 84607625

IUPAC3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid
SMILESCN1CC(CCC(=O)O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H15BrN2O3/c1-15-8-11(6-7-12(17)18)16(13(15)19)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,17,18)
InChIKeyWMQUHZCYVCRAGA-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.55
Rot. Bonds4

About 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid

3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid (PubChem CID 84607625) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid
PubChem CID84607625
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid
SMILESCN1CC(CCC(=O)O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H15BrN2O3/c1-15-8-11(6-7-12(17)18)16(13(15)19)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,17,18)
InChIKeyWMQUHZCYVCRAGA-UHFFFAOYSA-N
XLogP2.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid (CID 84607625) is 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid is CN1CC(CCC(=O)O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid?
The InChIKey is WMQUHZCYVCRAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-15-8-11(6-7-12(17)18)16(13(15)19)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,17,18).
What are the key properties of 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid?
3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid has a molecular weight of 327.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 84607625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).