tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C15H18N2O4 — CID 125482450

IUPACtert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)N[C@H](c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-11(18)9-17-13(19)12(16-14(17)20)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyLYHMOFACRDAQTP-GFCCVEGCSA-N
MW290.32 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 125482450) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID125482450
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nametert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)N[C@H](c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-11(18)9-17-13(19)12(16-14(17)20)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyLYHMOFACRDAQTP-GFCCVEGCSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetate
CID 125482513
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 84572142
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 19932459
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
tert-butyl 2-[(3S,5R)-3-bromo-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 10477770
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 84572007

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 125482450) is tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)N[C@H](c2ccccc2)C1=O.
What is the InChIKey of tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is LYHMOFACRDAQTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)21-11(18)9-17-13(19)12(16-14(17)20)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,16,20)/t12-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 290.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 125482450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).