methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate

C13H14N2O4 — CID 164674956

IUPACmethyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
SMILESCOC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-19-11(16)8-7-10-12(17)15(13(18)14-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)/t10-/m1/s1
InChIKeyCHQKIEDJHFDGSI-SNVBAGLBSA-N
MW262.26 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate

methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate (PubChem CID 164674956) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
PubChem CID164674956
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
SMILESCOC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-19-11(16)8-7-10-12(17)15(13(18)14-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)/t10-/m1/s1
InChIKeyCHQKIEDJHFDGSI-SNVBAGLBSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.06
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

methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 166233884
3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 43624651
methyl 3-[(4R)-1-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 167828767
methyl 3-[(4R)-1-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 166233917
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
CID 110205196
(3R)-2-[3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 126418555
(5S)-5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
CID 110206010
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 110204659
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 3034583
(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
CID 92538299

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate?
The IUPAC name of methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate (CID 164674956) is methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate is COC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate?
The InChIKey is CHQKIEDJHFDGSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-11(16)8-7-10-12(17)15(13(18)14-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)/t10-/m1/s1.
What are the key properties of methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate?
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate has a molecular weight of 262.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate is sourced from PubChem (CID 164674956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).