(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one

C10H11FN2O — CID 95437342

IUPAC(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N[C@H]1c1cccc(F)c1
InChIInChI=1S/C10H11FN2O/c11-7-3-1-2-6(4-7)10-8(12)5-9(14)13-10/h1-4,8,10H,5,12H2,(H,13,14)/t8-,10+/m1/s1
InChIKeyLECOQDLYGICXTJ-SCZZXKLOSA-N
MW194.21 g/mol
LogP0.71
Rot. Bonds1

About (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one

(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 95437342) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID95437342
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N[C@H]1c1cccc(F)c1
InChIInChI=1S/C10H11FN2O/c11-7-3-1-2-6(4-7)10-8(12)5-9(14)13-10/h1-4,8,10H,5,12H2,(H,13,14)/t8-,10+/m1/s1
InChIKeyLECOQDLYGICXTJ-SCZZXKLOSA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
(4R,5S)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 95450321
benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 138725392
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one (CID 95437342) is (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one is N[C@@H]1CC(=O)N[C@H]1c1cccc(F)c1.
What is the InChIKey of (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is LECOQDLYGICXTJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-7-3-1-2-6(4-7)10-8(12)5-9(14)13-10/h1-4,8,10H,5,12H2,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one?
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 194.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 95437342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).