3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione

C12H13FN2O2 — CID 81348257

IUPAC3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@H](NC1CC(=O)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c1-7(8-2-4-9(13)5-3-8)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m0/s1
InChIKeyTWTUBTNQDXFONH-BYDSUWOYSA-N
MW236.25 g/mol
LogP0.89
Rot. Bonds3

About 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione

3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione (PubChem CID 81348257) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
PubChem CID81348257
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@H](NC1CC(=O)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c1-7(8-2-4-9(13)5-3-8)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m0/s1
InChIKeyTWTUBTNQDXFONH-BYDSUWOYSA-N
XLogP0.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione (CID 81348257) is 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione is C[C@H](NC1CC(=O)NC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The InChIKey is TWTUBTNQDXFONH-BYDSUWOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7(8-2-4-9(13)5-3-8)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m0/s1.
What are the key properties of 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 81348257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).