2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid

C17H22N2O4 — CID 19705480

IUPAC2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-12(2)10-17(11-14(20)21)15(22)19(16(23)18-17)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyYOEPSFWNAFEVMV-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.04
Rot. Bonds7

About 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid

2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid (PubChem CID 19705480) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid
PubChem CID19705480
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-12(2)10-17(11-14(20)21)15(22)19(16(23)18-17)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyYOEPSFWNAFEVMV-UHFFFAOYSA-N
XLogP2.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid (CID 19705480) is 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid is CC(C)CC1(CC(=O)O)NC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid?
The InChIKey is YOEPSFWNAFEVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(2)10-17(11-14(20)21)15(22)19(16(23)18-17)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid?
2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid is sourced from PubChem (CID 19705480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).