3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione

C18H21NO5 — CID 54672476

IUPAC3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione
SMILESCC(C)(C)[C@@]1(C)OC(=O)[C@H](C2CC(=O)N(c3ccccc3)C2=O)O1
InChIInChI=1S/C18H21NO5/c1-17(2,3)18(4)23-14(16(22)24-18)12-10-13(20)19(15(12)21)11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12?,14-,18+/m0/s1
InChIKeyMZKSLXODLOSLBM-AHLLLDNBSA-N
MW331.37 g/mol
LogP2.27
Rot. Bonds2

About 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione

3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 54672476) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID54672476
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione
SMILESCC(C)(C)[C@@]1(C)OC(=O)[C@H](C2CC(=O)N(c3ccccc3)C2=O)O1
InChIInChI=1S/C18H21NO5/c1-17(2,3)18(4)23-14(16(22)24-18)12-10-13(20)19(15(12)21)11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12?,14-,18+/m0/s1
InChIKeyMZKSLXODLOSLBM-AHLLLDNBSA-N
XLogP2.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione 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

(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 102315169
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
CID 145169692
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
CID 102257740
2-phenyl-5-propan-2-ylidene-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrole-1,3-dione
CID 620418
7-phenyl-2,3,5,5a,8a,9-hexahydro-[1,4]dioxino[2,3-f]isoindole-6,8-dione
CID 102204081
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
2-[(3S)-3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2,3-dihydrochromen-4-ylidene]propanedinitrile
CID 102396675
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione (CID 54672476) is 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione is CC(C)(C)[C@@]1(C)OC(=O)[C@H](C2CC(=O)N(c3ccccc3)C2=O)O1.
What is the InChIKey of 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is MZKSLXODLOSLBM-AHLLLDNBSA-N. The full InChI is InChI=1S/C18H21NO5/c1-17(2,3)18(4)23-14(16(22)24-18)12-10-13(20)19(15(12)21)11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12?,14-,18+/m0/s1.
What are the key properties of 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione?
3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 331.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 54672476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).