[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C18H24FNO2 — CID 46213516

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H24FNO2/c1-20-12-4-5-16(20)13-22-17(21)18(10-2-3-11-18)14-6-8-15(19)9-7-14/h6-9,16H,2-5,10-13H2,1H3/t16-/m0/s1
InChIKeyUQAWCMBDKRPIBT-INIZCTEOSA-N
MW305.39 g/mol
LogP3.27
Rot. Bonds4

About [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 46213516) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID46213516
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H24FNO2/c1-20-12-4-5-16(20)13-22-17(21)18(10-2-3-11-18)14-6-8-15(19)9-7-14/h6-9,16H,2-5,10-13H2,1H3/t16-/m0/s1
InChIKeyUQAWCMBDKRPIBT-INIZCTEOSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 46213516) is [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CN1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is UQAWCMBDKRPIBT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-20-12-4-5-16(20)13-22-17(21)18(10-2-3-11-18)14-6-8-15(19)9-7-14/h6-9,16H,2-5,10-13H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 305.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46213516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).