[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

C15H17F3N2O — CID 124698676

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESN[C@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)10-3-1-9(2-4-10)12-7-13(12)14(21)20-6-5-11(19)8-20/h1-4,11-13H,5-8,19H2/t11-,12-,13-/m0/s1
InChIKeyMZKRMXDTRRLBBB-AVGNSLFASA-N
MW298.31 g/mol
LogP2.37
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 124698676) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID124698676
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESN[C@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)10-3-1-9(2-4-10)12-7-13(12)14(21)20-6-5-11(19)8-20/h1-4,11-13H,5-8,19H2/t11-,12-,13-/m0/s1
InChIKeyMZKRMXDTRRLBBB-AVGNSLFASA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124702790
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119482952
[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 125146300
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 137436694
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 124574239

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 124698676) is [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is N[C@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is MZKRMXDTRRLBBB-AVGNSLFASA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)10-3-1-9(2-4-10)12-7-13(12)14(21)20-6-5-11(19)8-20/h1-4,11-13H,5-8,19H2/t11-,12-,13-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 298.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 124698676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).