[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate

C18H22FNO4 — CID 146500365

IUPAC[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate
SMILESCOc1ccc(C2(C(=O)OC(=O)[C@@]3(F)CCCN3)CCCC2)cc1
InChIInChI=1S/C18H22FNO4/c1-23-14-7-5-13(6-8-14)17(9-2-3-10-17)15(21)24-16(22)18(19)11-4-12-20-18/h5-8,20H,2-4,9-12H2,1H3/t18-/m1/s1
InChIKeyLUTCQCUNVGZGHE-GOSISDBHSA-N
MW335.38 g/mol
LogP2.63
Rot. Bonds4

About [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate

[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate (PubChem CID 146500365) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate
PubChem CID146500365
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate
SMILESCOc1ccc(C2(C(=O)OC(=O)[C@@]3(F)CCCN3)CCCC2)cc1
InChIInChI=1S/C18H22FNO4/c1-23-14-7-5-13(6-8-14)17(9-2-3-10-17)15(21)24-16(22)18(19)11-4-12-20-18/h5-8,20H,2-4,9-12H2,1H3/t18-/m1/s1
InChIKeyLUTCQCUNVGZGHE-GOSISDBHSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
CID 20544109
tert-butyl 1-(4-methoxyphenyl)cyclopropane-1-carboperoxoate
CID 10539552
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574749
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158410328

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate?
The IUPAC name of [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate (CID 146500365) is [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate is COc1ccc(C2(C(=O)OC(=O)[C@@]3(F)CCCN3)CCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate?
The InChIKey is LUTCQCUNVGZGHE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22FNO4/c1-23-14-7-5-13(6-8-14)17(9-2-3-10-17)15(21)24-16(22)18(19)11-4-12-20-18/h5-8,20H,2-4,9-12H2,1H3/t18-/m1/s1.
What are the key properties of [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate?
[1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate has a molecular weight of 335.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopentanecarbonyl] (2S)-2-fluoropyrrolidine-2-carboxylate is sourced from PubChem (CID 146500365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).