ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate

C17H25NO3 — CID 103466113

IUPACethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
SMILESCCOC(=O)CC(COC)(c1ccccc1)N1CCCC1
InChIInChI=1S/C17H25NO3/c1-3-21-16(19)13-17(14-20-2,18-11-7-8-12-18)15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3
InChIKeyBCPNBRWKYWPWNE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.58
Rot. Bonds7

About ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate

ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate (PubChem CID 103466113) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
PubChem CID103466113
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
SMILESCCOC(=O)CC(COC)(c1ccccc1)N1CCCC1
InChIInChI=1S/C17H25NO3/c1-3-21-16(19)13-17(14-20-2,18-11-7-8-12-18)15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3
InChIKeyBCPNBRWKYWPWNE-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
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ethyl 3-(4-methylpiperazin-1-yl)-3-phenylbutanoate
CID 65422298
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
ethyl 2-(4-tritylpiperazin-1-yl)acetate
CID 10158732
ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
CID 142276862
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 64529115
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
CID 64529180

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate?
The IUPAC name of ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate (CID 103466113) is ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate.
What is the SMILES notation for ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate?
The canonical SMILES for ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate is CCOC(=O)CC(COC)(c1ccccc1)N1CCCC1.
What is the InChIKey of ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate?
The InChIKey is BCPNBRWKYWPWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-16(19)13-17(14-20-2,18-11-7-8-12-18)15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3.
What are the key properties of ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate?
ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate has a molecular weight of 291.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate is sourced from PubChem (CID 103466113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).