3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H20FN3O3 — CID 128986715

IUPAC3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2C[C@@H](F)C[C@H]2CO)C1=O
InChIInChI=1S/C12H20FN3O3/c1-12(2)10(18)16(11(19)14-12)4-3-15-6-8(13)5-9(15)7-17/h8-9,17H,3-7H2,1-2H3,(H,14,19)/t8-,9-/m0/s1
InChIKeyZIMJWEOQHAKVEY-IUCAKERBSA-N
MW273.31 g/mol
LogP-0.28
Rot. Bonds4

About 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 128986715) has the molecular formula C12H20FN3O3 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID128986715
Molecular FormulaC12H20FN3O3
Molecular Weight273.31 g/mol
Exact Mass273.15
IUPAC Name3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2C[C@@H](F)C[C@H]2CO)C1=O
InChIInChI=1S/C12H20FN3O3/c1-12(2)10(18)16(11(19)14-12)4-3-15-6-8(13)5-9(15)7-17/h8-9,17H,3-7H2,1-2H3,(H,14,19)/t8-,9-/m0/s1
InChIKeyZIMJWEOQHAKVEY-IUCAKERBSA-N
XLogP-0.28
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 128986715) is 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2C[C@@H](F)C[C@H]2CO)C1=O.
What is the InChIKey of 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZIMJWEOQHAKVEY-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20FN3O3/c1-12(2)10(18)16(11(19)14-12)4-3-15-6-8(13)5-9(15)7-17/h8-9,17H,3-7H2,1-2H3,(H,14,19)/t8-,9-/m0/s1.
What are the key properties of 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 273.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 128986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).