2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid

C15H18N2O4 — CID 105345329

IUPAC2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
SMILESCCCC1NC(=O)N(Cc2ccc(CC(=O)O)cc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-3-12-14(20)17(15(21)16-12)9-11-6-4-10(5-7-11)8-13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,16,21)(H,18,19)
InChIKeyVHAGMAFKAOZIAD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid

2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid (PubChem CID 105345329) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
PubChem CID105345329
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
SMILESCCCC1NC(=O)N(Cc2ccc(CC(=O)O)cc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-3-12-14(20)17(15(21)16-12)9-11-6-4-10(5-7-11)8-13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,16,21)(H,18,19)
InChIKeyVHAGMAFKAOZIAD-UHFFFAOYSA-N
XLogP1.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
CID 75498380
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
CID 78880606
5-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578797
3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 60673988
3-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115776
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
5-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65344315
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 51323249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid (CID 105345329) is 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid is CCCC1NC(=O)N(Cc2ccc(CC(=O)O)cc2)C1=O.
What is the InChIKey of 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid?
The InChIKey is VHAGMAFKAOZIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-12-14(20)17(15(21)16-12)9-11-6-4-10(5-7-11)8-13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,16,21)(H,18,19).
What are the key properties of 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid?
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 105345329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).