(2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate

C17H22FNO2 — CID 99793871

IUPAC(2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1F)[C@@H]1CCCN1C1CCCC1
InChIInChI=1S/C17H22FNO2/c18-15-9-4-1-6-13(15)12-21-17(20)16-10-5-11-19(16)14-7-2-3-8-14/h1,4,6,9,14,16H,2-3,5,7-8,10-12H2/t16-/m0/s1
InChIKeyCUHDTNVLUVLMKZ-INIZCTEOSA-N
MW291.37 g/mol
LogP3.28
Rot. Bonds4

About (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate

(2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate (PubChem CID 99793871) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate
PubChem CID99793871
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name(2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1F)[C@@H]1CCCN1C1CCCC1
InChIInChI=1S/C17H22FNO2/c18-15-9-4-1-6-13(15)12-21-17(20)16-10-5-11-19(16)14-7-2-3-8-14/h1,4,6,9,14,16H,2-3,5,7-8,10-12H2/t16-/m0/s1
InChIKeyCUHDTNVLUVLMKZ-INIZCTEOSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate (CID 99793871) is (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate is O=C(OCc1ccccc1F)[C@@H]1CCCN1C1CCCC1.
What is the InChIKey of (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate?
The InChIKey is CUHDTNVLUVLMKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-9-4-1-6-13(15)12-21-17(20)16-10-5-11-19(16)14-7-2-3-8-14/h1,4,6,9,14,16H,2-3,5,7-8,10-12H2/t16-/m0/s1.
What are the key properties of (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate?
(2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (2S)-1-cyclopentylpyrrolidine-2-carboxylate is sourced from PubChem (CID 99793871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).