methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate

C15H17N3O5 — CID 91822490

IUPACmethyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCC1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-23-13(20)9-16-12(19)8-7-11-14(21)18(15(22)17-11)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,19)(H,17,22)
InChIKeyOSHGYHFBMLSBFG-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.18
Rot. Bonds6

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

methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate (PubChem CID 91822490) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
PubChem CID91822490
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCC1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-23-13(20)9-16-12(19)8-7-11-14(21)18(15(22)17-11)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,19)(H,17,22)
InChIKeyOSHGYHFBMLSBFG-UHFFFAOYSA-N
XLogP0.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
CID 110205196
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 110204659
N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 91823348
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124877556
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
CID 110204751
3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 124849525
3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 42962374
3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 110205419

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate (CID 91822490) is methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate is COC(=O)CNC(=O)CCC1NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate?
The InChIKey is OSHGYHFBMLSBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-23-13(20)9-16-12(19)8-7-11-14(21)18(15(22)17-11)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,19)(H,17,22).
What are the key properties of methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate?
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate has a molecular weight of 319.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate is sourced from PubChem (CID 91822490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).