methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate

C15H20FNO2 — CID 83981517

IUPACmethyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO2/c1-11(15(18)19-2)8-12-6-7-17(10-12)14-5-3-4-13(16)9-14/h3-5,9,11-12H,6-8,10H2,1-2H3
InChIKeyOYRAHWDWBABPMJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.85
Rot. Bonds4

About methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate

methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate (PubChem CID 83981517) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
PubChem CID83981517
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO2/c1-11(15(18)19-2)8-12-6-7-17(10-12)14-5-3-4-13(16)9-14/h3-5,9,11-12H,6-8,10H2,1-2H3
InChIKeyOYRAHWDWBABPMJ-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981540
methyl 3-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981853
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981537
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
methyl 2-amino-3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propanoate
CID 83981608
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
3-[1-(3-bromophenyl)pyrrolidin-3-yl]-2-methylpropanoic acid
CID 83981669
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981643

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate (CID 83981517) is methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate is COC(=O)C(C)CC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate?
The InChIKey is OYRAHWDWBABPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(15(18)19-2)8-12-6-7-17(10-12)14-5-3-4-13(16)9-14/h3-5,9,11-12H,6-8,10H2,1-2H3.
What are the key properties of methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate?
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate has a molecular weight of 265.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 83981517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).