methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate

C14H19NO2 — CID 20833938

IUPACmethyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(15-9-5-6-10-15)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyLFYAUPWNCDWLCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds4

About methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate

methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate (PubChem CID 20833938) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
PubChem CID20833938
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(15-9-5-6-10-15)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyLFYAUPWNCDWLCJ-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
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methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 2-(1,4-diazepan-1-yl)-4-phenylbutanoate
CID 62879745
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
methyl (2S)-3-phenyl-2-[29,30,31,32-tetrahydroxy-23-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-5,13,19,27-tetramethyl-9,23-diazapentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(29),3(32),4,6,11,13,15(31),17(30),18,20,25,27-dodecaen-9-yl]propanoate
CID 10843286
methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
CID 25233392
(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 5024671
methyl 3-phenyl-2-triphenylstannylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate?
The IUPAC name of methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate (CID 20833938) is methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate?
The canonical SMILES for methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate is COC(=O)C(Cc1ccccc1)N1CCCC1.
What is the InChIKey of methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate?
The InChIKey is LFYAUPWNCDWLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13(15-9-5-6-10-15)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3.
What are the key properties of methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate?
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 20833938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).