[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C20H25FN2O4 — CID 8953350

IUPAC[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESC[C@@H](OC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O4/c1-13(19(25)22-11-14-6-8-16(21)9-7-14)27-20(26)15-10-18(24)23(12-15)17-4-2-3-5-17/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,22,25)/t13-,15+/m1/s1
InChIKeySTJDINGDOZQUBM-HIFRSBDPSA-N
MW376.43 g/mol
LogP2.16
Rot. Bonds6

About [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 8953350) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID8953350
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESC[C@@H](OC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O4/c1-13(19(25)22-11-14-6-8-16(21)9-7-14)27-20(26)15-10-18(24)23(12-15)17-4-2-3-5-17/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,22,25)/t13-,15+/m1/s1
InChIKeySTJDINGDOZQUBM-HIFRSBDPSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8738643
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8956592
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953129
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 9060830
1-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866844
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 1095965
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953122
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953115
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7958995
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 46622745
1-cyclopentyl-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 51276378

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 8953350) is [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is C[C@@H](OC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is STJDINGDOZQUBM-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-13(19(25)22-11-14-6-8-16(21)9-7-14)27-20(26)15-10-18(24)23(12-15)17-4-2-3-5-17/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,22,25)/t13-,15+/m1/s1.
What are the key properties of [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 8953350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).