[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C19H23N3O5 — CID 7703930

IUPAC[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O5/c1-19(2)17(25)22(18(26)20-19)12-14(23)27-15(13-8-4-3-5-9-13)16(24)21-10-6-7-11-21/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,26)/t15-/m0/s1
InChIKeyDJLGEDGYWIBNSU-HNNXBMFYSA-N
MW373.41 g/mol
LogP1.22
Rot. Bonds5

About [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7703930) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7703930
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O5/c1-19(2)17(25)22(18(26)20-19)12-14(23)27-15(13-8-4-3-5-9-13)16(24)21-10-6-7-11-21/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,26)/t15-/m0/s1
InChIKeyDJLGEDGYWIBNSU-HNNXBMFYSA-N
XLogP1.22
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703955
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703952
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7705811
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 46825038
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8601060
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 46825838
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8603095
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711332

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7703930) is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)C1=O.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is DJLGEDGYWIBNSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2)17(25)22(18(26)20-19)12-14(23)27-15(13-8-4-3-5-9-13)16(24)21-10-6-7-11-21/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,26)/t15-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 373.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7703930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).