3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one

C20H22FN3O — CID 120760329

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESN[C@@H]1CN(C2CCN(c3ccccc3F)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22FN3O/c21-16-8-4-5-9-18(16)24-11-10-19(20(24)25)23-12-15(17(22)13-23)14-6-2-1-3-7-14/h1-9,15,17,19H,10-13,22H2/t15-,17+,19?/m0/s1
InChIKeyKTSFURMTLKCXQN-NADDXPSSSA-N
MW339.41 g/mol
LogP2.36
Rot. Bonds3

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 120760329) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID120760329
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESN[C@@H]1CN(C2CCN(c3ccccc3F)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22FN3O/c21-16-8-4-5-9-18(16)24-11-10-19(20(24)25)23-12-15(17(22)13-23)14-6-2-1-3-7-14/h1-9,15,17,19H,10-13,22H2/t15-,17+,19?/m0/s1
InChIKeyKTSFURMTLKCXQN-NADDXPSSSA-N
XLogP2.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120761126
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(2,6-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 120759804
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride
CID 120761134
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 120761777
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120759279
(7aR)-2-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-7a-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 125137274
[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 18972680
2-(2-fluorophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944245
1-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905150
1-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908410
N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 99807466
(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770314

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 120760329) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one is N[C@@H]1CN(C2CCN(c3ccccc3F)C2=O)C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is KTSFURMTLKCXQN-NADDXPSSSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-8-4-5-9-18(16)24-11-10-19(20(24)25)23-12-15(17(22)13-23)14-6-2-1-3-7-14/h1-9,15,17,19H,10-13,22H2/t15-,17+,19?/m0/s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 339.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 120760329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).