[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone

C22H25FN2O — CID 156533967

IUPAC[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESN[C@@H]1CCN(C(=O)C2CCC2)[C@@H]1Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C22H25FN2O/c23-19-9-3-8-18(14-19)17-7-1-4-15(12-17)13-21-20(24)10-11-25(21)22(26)16-5-2-6-16/h1,3-4,7-9,12,14,16,20-21H,2,5-6,10-11,13,24H2/t20-,21-/m1/s1
InChIKeyWIOYNVSSGSRSGA-NHCUHLMSSA-N
MW352.45 g/mol
LogP3.76
Rot. Bonds4

About [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone

[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 156533967) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID156533967
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESN[C@@H]1CCN(C(=O)C2CCC2)[C@@H]1Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C22H25FN2O/c23-19-9-3-8-18(14-19)17-7-1-4-15(12-17)13-21-20(24)10-11-25(21)22(26)16-5-2-6-16/h1,3-4,7-9,12,14,16,20-21H,2,5-6,10-11,13,24H2/t20-,21-/m1/s1
InChIKeyWIOYNVSSGSRSGA-NHCUHLMSSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone with MolForge

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Related Compounds

[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471212
[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471231
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137462085
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]oxolane-2-carboxamide
CID 156533969
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471114
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 125148175
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
N-[(2R)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-methoxymethanesulfonamide
CID 137469770
methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137470993
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 137471006

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone (CID 156533967) is [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone is N[C@@H]1CCN(C(=O)C2CCC2)[C@@H]1Cc1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is WIOYNVSSGSRSGA-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-19-9-3-8-18(14-19)17-7-1-4-15(12-17)13-21-20(24)10-11-25(21)22(26)16-5-2-6-16/h1,3-4,7-9,12,14,16,20-21H,2,5-6,10-11,13,24H2/t20-,21-/m1/s1.
What are the key properties of [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 352.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 156533967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).