2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

C13H16N2O3 — CID 3245043

IUPAC2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESCc1cccc(CN2CCN(CC(=O)O)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-10-3-2-4-11(7-10)8-14-5-6-15(13(14)18)9-12(16)17/h2-4,7H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyXKSRCHIZMWYGMZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 3245043) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID3245043
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESCc1cccc(CN2CCN(CC(=O)O)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-10-3-2-4-11(7-10)8-14-5-6-15(13(14)18)9-12(16)17/h2-4,7H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyXKSRCHIZMWYGMZ-UHFFFAOYSA-N
XLogP1.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (CID 3245043) is 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is Cc1cccc(CN2CCN(CC(=O)O)C2=O)c1.
What is the InChIKey of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is XKSRCHIZMWYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10-3-2-4-11(7-10)8-14-5-6-15(13(14)18)9-12(16)17/h2-4,7H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 3245043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).