[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride

C17H24ClFN2O2 — CID 120794067

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
SMILESCC1CC(c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-11-7-15(12-3-2-4-13(18)8-12)20(10-11)17(21)16-6-5-14(9-19)22-16;/h2-4,8,11,14-16H,5-7,9-10,19H2,1H3;1H/t11?,14-,15?,16+;/m1./s1
InChIKeyBHGMBRVBEAEVQL-RQDNCKQUSA-N
MW342.84 g/mol
LogP2.66
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 120794067) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
PubChem CID120794067
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
SMILESCC1CC(c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-11-7-15(12-3-2-4-13(18)8-12)20(10-11)17(21)16-6-5-14(9-19)22-16;/h2-4,8,11,14-16H,5-7,9-10,19H2,1H3;1H/t11?,14-,15?,16+;/m1./s1
InChIKeyBHGMBRVBEAEVQL-RQDNCKQUSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 120794622
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793891
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120785269
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120786231
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride (CID 120794067) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride is CC1CC(c2cccc(F)c2)N(C(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is BHGMBRVBEAEVQL-RQDNCKQUSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c1-11-7-15(12-3-2-4-13(18)8-12)20(10-11)17(21)16-6-5-14(9-19)22-16;/h2-4,8,11,14-16H,5-7,9-10,19H2,1H3;1H/t11?,14-,15?,16+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).