1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione

C10H16FN3O3S — CID 162764549

IUPAC1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione
SMILESCC(=O)C(CN)N1C(=O)CC(SCCNF)C1=O
InChIInChI=1S/C10H16FN3O3S/c1-6(15)7(5-12)14-9(16)4-8(10(14)17)18-3-2-13-11/h7-8,13H,2-5,12H2,1H3
InChIKeyVVFCZISJQQHKTJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.76
Rot. Bonds7

About 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione

1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione (PubChem CID 162764549) has the molecular formula C10H16FN3O3S and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione
PubChem CID162764549
Molecular FormulaC10H16FN3O3S
Molecular Weight277.32 g/mol
Exact Mass277.09
IUPAC Name1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione
SMILESCC(=O)C(CN)N1C(=O)CC(SCCNF)C1=O
InChIInChI=1S/C10H16FN3O3S/c1-6(15)7(5-12)14-9(16)4-8(10(14)17)18-3-2-13-11/h7-8,13H,2-5,12H2,1H3
InChIKeyVVFCZISJQQHKTJ-UHFFFAOYSA-N
XLogP-0.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione (CID 162764549) is 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione is CC(=O)C(CN)N1C(=O)CC(SCCNF)C1=O.
What is the InChIKey of 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione?
The InChIKey is VVFCZISJQQHKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O3S/c1-6(15)7(5-12)14-9(16)4-8(10(14)17)18-3-2-13-11/h7-8,13H,2-5,12H2,1H3.
What are the key properties of 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione?
1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 162764549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).