2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid

C15H16N2O4 — CID 19702244

IUPAC2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H16N2O4/c18-12(19)10-8-11(10)15(13(20)16-14(21)17-15)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H2,16,17,20,21)
InChIKeyUGSRBLUKBRHUGD-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.92
Rot. Bonds5

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

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702244) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702244
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H16N2O4/c18-12(19)10-8-11(10)15(13(20)16-14(21)17-15)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H2,16,17,20,21)
InChIKeyUGSRBLUKBRHUGD-UHFFFAOYSA-N
XLogP0.92
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702280
2-[4-[2-(4-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702272
2-[4-[2-(3-bromophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702256
trans-(1S,2S)-2-[4-[2-(3-aminophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 10709542
2-[4-[2-(2-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702158
2-[4-[2-(3,4-difluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702207
trans-(1S,2S)-2-[4-(3,3-diphenylpropyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 10714663
2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702216
2-[2,5-dioxo-4-(9H-xanthen-9-ylmethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 77321092
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890
trans-(1S,2S)-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 10731432
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702244) is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2ccccc2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is UGSRBLUKBRHUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12(19)10-8-11(10)15(13(20)16-14(21)17-15)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H2,16,17,20,21).
What are the key properties of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).