2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone

C13H17FN2O — CID 124693574

IUPAC2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CN
InChIInChI=1S/C13H17FN2O/c1-9-6-11(8-16(9)13(17)7-15)10-2-4-12(14)5-3-10/h2-5,9,11H,6-8,15H2,1H3/t9-,11-/m1/s1
InChIKeyAOLYASDGYQUFIV-MWLCHTKSSA-N
MW236.29 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone

2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone (PubChem CID 124693574) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
PubChem CID124693574
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CN
InChIInChI=1S/C13H17FN2O/c1-9-6-11(8-16(9)13(17)7-15)10-2-4-12(14)5-3-10/h2-5,9,11H,6-8,15H2,1H3/t9-,11-/m1/s1
InChIKeyAOLYASDGYQUFIV-MWLCHTKSSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
(2S)-2-amino-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 119796817
2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325
(2S)-2-amino-1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688053
ethyl 1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylate
CID 95932127
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
1-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95632201

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone (CID 124693574) is 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone is C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CN.
What is the InChIKey of 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone?
The InChIKey is AOLYASDGYQUFIV-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-6-11(8-16(9)13(17)7-15)10-2-4-12(14)5-3-10/h2-5,9,11H,6-8,15H2,1H3/t9-,11-/m1/s1.
What are the key properties of 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone?
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone has a molecular weight of 236.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124693574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).